SCHEMBL130507

SCHEMBL130507

N#Cc1cc(-c2cc(C#N)c(C(=O)O)cn2)ncc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.41
XDH P47989 4/20 0.41
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRG1 Q8N1C3 2/20 0.38
GABRG3 Q99928 2/20 0.38
GABRQ Q9UN88 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22660217 0.83 LTB4R (0.33) XDHKDM4EHSD17B10GABRPGABRD
SCHEMBL20606451 0.78 NNMT (0.47) XDHKDM4EHSD17B10
SCHEMBL16968396 0.77 KDM4E (0.50) XDHKDM4EHSD17B10
SCHEMBL13328090 0.74 LDHA (0.48) LDHAKDM4EGABRPGABRDGABRA1
SCHEMBL11116363 0.73 KDM4E (0.47) XDHKDM4EHSD17B10
SCHEMBL8586090 0.72 KDM4E (0.50) XDHKDM4EHSD17B10
SCHEMBL13360245 0.71 LDHA (0.46) LDHAKDM4EHSD17B10GABRPGABRD
SCHEMBL21063471 0.71 GABRP (0.39) LDHAXDHKDM4EGABRPGABRD
SCHEMBL4558975 0.70
SCHEMBL29955774 0.69 KDM4C (0.48) XDHKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 309 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021052722-A1 METHOD FOR DYEING KERATIN MATERIAL, COMPRISING THE USE OF AN ORGANIC C1-C6 ALKOXY SILANE AND AN ACIDIFIER HENKEL AG & CO. KGAA (DE) 2021-03-25 WO claimed
US-20170151146-A1 HAIR TREATMENT AGENTS HENKEL AG & CO. KGAA (DE) 2017-06-01 US claimed
US-20170151156-A1 HAIR TREATMENT AGENTS HENKEL AG & CO. KGAA (DE) 2017-06-01 US claimed
US-20170151147-A1 HIGH-PERFORMANCE HAIR TREATMENT AGENT WITH ANTI-WASH-OUT EFFECT HENKEL AG & CO. KGAA (DE) 2017-06-01 US claimed
US-20170151144-A1 HIGH-PERFORMANCE HAIR TREATMENT AGENTS HAVING ANTI-WASHOUT EFFECT HENKEL AG & CO. KGAA (DE) 2017-06-01 US claimed
US-20170151143-A1 HIGH-PERFORMANCE HAIR TREATMENT AGENTS HAVING ANTI-WASHOUT EFFECT HENKEL AG & CO. KGAA (DE) 2017-06-01 US claimed
EP-1326577-B1 NOVEL USE OF SHORT-CHAINED CARBOXYLIC ACIDS HENKEL AG & CO KGAA (DE) 2008-10-15 EP claimed
EP-1326579-B1 NOVEL USE OF SHORT-CHAINED CARBOXYLIC ACIDS HENKEL KGAA (DE) 2008-02-13 EP claimed
US-20050249784-A1 Preparations containing diformates and short-chain carboxylic acids BASF AKTIENGESELLSCHAFT (DE) 2005-11-10 US claimed
WO-2003099243-A1 COSMETIC AGENTS CONTAINING PROTEIN DISULFIDE ISOMERASE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-12-04 WO claimed
US-20240207160-A1 PROCESS OF COLORING KERATINOUS MATERIAL COMPRISING THE USE OF AN ORGANOSILICON COMPOUND, AN EFFECT PIGMENT, AND A SEALING REAGENT VI HENKEL AG & CO. KGAA (DE) 2024-06-27 US disclosed
US-20240173222-A1 METHOD FOR DYEING KERATINOUS MATERIAL, COMPRISING THE USE OF AN ORGANOSILICON COMPOUND, A DYEING COMPOUND, A SEALING REAGENT, AND A PRE-TREATMENT AGENT HENKEL AG & CO. KGAA (DE) 2024-05-30 US disclosed
US-11992546-B2 Process of coloring keratinous material comprising the use of an organosilicon compound, an effect pigment, and a sealing reagent vi HENKEL AG & CO. KGAA (US) 2024-05-28 US disclosed
US-20240165005-A1 METHOD FOR DYEING KERATINOUS MATERIAL, INCLUDING THE APPLICATION OF AN ORGANOSILICON COMPOUND, A DYEING COMPOUND, A SEALING REAGENT AND AN ALKALINE PRE-TREATMENT AGENT HENKEL AG & CO. KGAA (DE) 2024-05-23 US disclosed
US-20240165011-A1 METHOD FOR DYEING KERATINOUS MATERIAL, COMPRISING THE USE OF AN ORGANOSILICON COMPOUND, A DYEING COMPOUND, A SEALING REAGENT, AND A POLYMER-CONTAINING POST-TREATMENT AGENT HENKEL AG & CO. KGAA (DE) 2024-05-23 US disclosed
WO-2002032383-A2 NOVEL USE OF SHORT-CHAINED CARBOXYLIC ACIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-04-25 WO disclosed
WO-2002032386-A2 NOVEL USE OF SHORT-CHAINED CARBOXYLIC ACIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-04-25 WO disclosed
WO-2001097755-A2 VITAMIN B6 DERIVATIVES AS PROTECTIVE COMPONENTS IN THE OXIDATIVE TREATMENT OF HAIR HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-27 WO disclosed
WO-2001097757-A2 AGENT FOR DYEING OR COLORING AND SIMULTANEOUSLY PROTECTING HAIR HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-27 WO disclosed
WO-2001097756-A2 NOVEL COUPLING COMPONENT FOR OXIDATIVE HAIR DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170151147-A1 HIGH-PERFORMANCE HAIR TREATMENT AGENT WITH ANTI-WASH-OUT EFFECT CD99, TPH2, TPH1 LDHA 1538/4885XDH 4130/4885KDM4E 294/4885
US-11992546-B2 Process of coloring keratinous material comprising the use of an organosilicon compound, an effect pigment, and a sealing reagent vi KRT18, VIM, MSH6 LDHA 1221/4885XDH 4329/4885KDM4E 1918/4885
US-20170151146-A1 HAIR TREATMENT AGENTS OAT, OTC, SLC26A4 LDHA 1560/4885XDH 1749/4885KDM4E 734/4885
US-20240207160-A1 PROCESS OF COLORING KERATINOUS MATERIAL COMPRISING THE USE OF AN ORGANOSILICON COMPOUND, AN EFFECT PIGMENT, AND A SEALING REAGENT VI KRT18, GP6, MSH6 LDHA 836/4885XDH 4465/4885KDM4E 3282/4885
US-20240165011-A1 METHOD FOR DYEING KERATINOUS MATERIAL, COMPRISING THE USE OF AN ORGANOSILICON COMPOUND, A DYEING COMPOUND, A SEALING REAGENT, AND A POLYMER-CONTAINING POST-TREATMENT AGENT KRT18, DSG1, PDS5A LDHA 1095/4885XDH 4590/4885KDM4E 689/4885
US-20240173222-A1 METHOD FOR DYEING KERATINOUS MATERIAL, COMPRISING THE USE OF AN ORGANOSILICON COMPOUND, A DYEING COMPOUND, A SEALING REAGENT, AND A PRE-TREATMENT AGENT KRT18, DSG1, PDS5A LDHA 514/4885XDH 1523/4885KDM4E 1903/4885
US-20170151156-A1 HAIR TREATMENT AGENTS OAT, OTC, SLC26A4 LDHA 1560/4885XDH 1749/4885KDM4E 734/4885
US-20170151143-A1 HIGH-PERFORMANCE HAIR TREATMENT AGENTS HAVING ANTI-WASHOUT EFFECT OAT, SLC7A1, SLC25A13 LDHA 395/4885XDH 4023/4885KDM4E 976/4885
US-20170151144-A1 HIGH-PERFORMANCE HAIR TREATMENT AGENTS HAVING ANTI-WASHOUT EFFECT OAT, SLC7A1, ARG2 LDHA 699/4885XDH 3672/4885KDM4E 949/4885
US-20240165005-A1 METHOD FOR DYEING KERATINOUS MATERIAL, INCLUDING THE APPLICATION OF AN ORGANOSILICON COMPOUND, A DYEING COMPOUND, A SEALING REAGENT AND AN ALKALINE PRE-TREATMENT AGENT KRT18, DSG1, PCNA LDHA 357/4885XDH 3667/4885KDM4E 1369/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.