SCHEMBL692248

SCHEMBL692248

Nc1ccc(-c2ccsc2)c(N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.54
KCNH2 Q12809 1/20 0.50
CYP2A6 P11509 6/20 0.45
TDO2 P48775 1/20 0.44
MAPT P10636 2/20 0.40
IKBKB O14920 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP2B6 P20813 2/20 0.39
CYP2E1 P05181 1/20 0.39
PTPRC P08575 1/20 0.39
BACE1 P56817 1/20 0.38
GAA P10253 1/20 0.37
CHEK2 O96017 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAOB P27338 1/20 0.36
CASP1 P29466 1/20 0.35
PELI1 Q96FA3 1/20 0.35

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
Hydrochloric Acid SCHEMBL456649 0.98 IMPDH2 (0.53) IMPDH2KCNH2CYP2A6TDO2MAPT
SCHEMBL145993 0.84 KCNH2 (0.55) IMPDH2KCNH2CYP2A6TDO2MAPT
SCHEMBL34467254 0.83 KCNH2 (0.57) IMPDH2KCNH2CYP2A6TDO2MAPT
Hydrochloric Acid SCHEMBL6740203 0.82 KCNH2 (0.53) IMPDH2KCNH2CYP2A6TDO2MAPT
SCHEMBL5704916 0.82 IMPDH2 (0.53) IMPDH2KCNH2CYP2A6TDO2MAPT
Hydrochloric Acid SCHEMBL5704807 0.81 IMPDH2 (0.51) IMPDH2KCNH2CYP2A6TDO2MAPT
SCHEMBL6056856 0.81 IMPDH2 (0.51) IMPDH2KCNH2CYP2A6TDO2ALDH1A1
SCHEMBL1378848 0.77 PELI1 (0.54) IMPDH2KCNH2CYP2A6TDO2MAPT
Hydrochloric Acid SCHEMBL6287793 0.76 PELI1 (0.53) IMPDH2KCNH2CYP2A6TDO2MAPT
SCHEMBL5190739 0.75 ALDH1A1 (0.54) IMPDH2KCNH2CYP2A6TDO2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6811573-B2 HAIR DYES; INTENSE, STABLE BLUE COLOR SHADES IN ADDITION TO NATURAL, PURPLE OR VIOLET ONES WELLA AKTIENGESELLSCHAFT (DE) 2004-11-02 US claimed
US-20030093867-A1 Dyes for keratin fibres containing 1,3-diamino-4-heteroarylbenzene derivatives and novel 1,3-diamino-4-heteroarylbenzene derivatives HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-05-22 US claimed
US-12133906-B2 Delivery particle THE PROCTER & GAMBLE COMPANY (US) 2024-11-05 US disclosed
US-20220409497-A1 DELIVERY PARTICLE PROCTER & GAMBLE (US) 2022-12-29 US disclosed
EP-3733827-A1 DELIVERY PARTICLES The Procter & Gamble Company (US) 2020-11-04 EP disclosed
EP-2563508-B1 DELIVERY PARTICLE PROCTER & GAMBLE (US) 2019-07-10 EP disclosed
EP-1642563-B1 Method of rapid hair dyeing NOXELL CORP (US) 2019-06-26 EP disclosed
US-20190142714-A1 DELIVERY PARTICLE PROCTER & GAMBLE (US) 2019-05-16 US disclosed
EP-1484048-B1 Hair colouring compositions NOXELL CORP (US) 2019-01-02 EP disclosed
US-20180360706-A1 Delivery Particles PROCTER & GAMBLE (US) 2018-12-20 US disclosed
EP-2308564-B1 Thickened hair colourant and bleaching compositions NOXELL CORP (US) 2018-12-19 EP disclosed
US-20050188476-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-01 US disclosed
WO-2005079735-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-09-01 WO disclosed
WO-2005077324-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-25 WO disclosed
WO-2005074875-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-18 WO disclosed
WO-2004108102-A1 HAIR COLOURING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2004-12-16 WO disclosed
EP-1484048-A1 Hair colouring compositions The Procter & Gamble Company (US) 2004-12-08 EP disclosed
US-20040237218-A1 Hair colouring compositions WELLA OPERATIONS US, LLC 2004-12-02 US disclosed
US-6811573-B2 HAIR DYES; INTENSE, STABLE BLUE COLOR SHADES IN ADDITION TO NATURAL, PURPLE OR VIOLET ONES WELLA AKTIENGESELLSCHAFT (DE) 2004-11-02 US disclosed
US-20030093867-A1 Dyes for keratin fibres containing 1,3-diamino-4-heteroarylbenzene derivatives and novel 1,3-diamino-4-heteroarylbenzene derivatives HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-05-22 US 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 (7 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-20220409497-A1 DELIVERY PARTICLE LIPA, CHMP4B, SLC46A1 IMPDH2 1489/4885KCNH2 3849/4885CYP2A6 2437/4885
US-20180360706-A1 Delivery Particles LIPA, CHMP4B, ABCB4 IMPDH2 1512/4885KCNH2 3853/4885CYP2A6 2326/4885
US-12133906-B2 Delivery particle LIPA, CHMP4B, SLC46A1 IMPDH2 1489/4885KCNH2 3849/4885CYP2A6 2437/4885
US-20030093867-A1 Dyes for keratin fibres containing 1,3-diamino-4-heteroarylbenzene derivatives and novel 1,3-diamino-4-heteroarylbenzene derivatives KRT18, DSP, TUBB4B IMPDH2 3411/4885KCNH2 615/4885CYP2A6 2738/4885
US-20190142714-A1 DELIVERY PARTICLE LIPA, CHMP4B, SLC46A1 IMPDH2 1489/4885KCNH2 3849/4885CYP2A6 2437/4885
US-20040237218-A1 Hair colouring compositions COXFA4L2, CYBA, MT-CO3 IMPDH2 613/4885KCNH2 898/4885CYP2A6 1673/4885
US-20050188476-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, JUP, CKMT1A; CKMT1B IMPDH2 1642/4885KCNH2 1677/4885CYP2A6 439/4885

“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.