SCHEMBL170664

SCHEMBL170664

O=[N+]([O-])c1ccc(Cl)c(N(CC(O)CO)CC(O)CO)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
VCAM1 P19320 1/20 0.40
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TP53 P04637 2/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL8108406 0.80 HSD17B10 (0.51) HSD17B10KMT2AMEN1VCAM1TP53
SCHEMBL3182435 0.76 ALDH1A1 (0.42) KMT2AMEN1VCAM1MAPTLMNA
SCHEMBL10442762 0.72 MEN1 (0.52) HSD17B10KMT2AMEN1MAPTLMNA
SCHEMBL9714022 0.71 HSD17B10 (0.60) HSD17B10KMT2AMEN1VCAM1HTT
SCHEMBL11441318 0.69 MMP14 (0.46) KMT2AMEN1HTTMAPTGAA
SCHEMBL11441316 0.69 MMP14 (0.46) KMT2AMEN1HTTMAPTGAA
SCHEMBL1984158 0.68 HSD17B10 (0.51) HSD17B10KMT2AVCAM1TP53HTT
SCHEMBL16959250 0.68 HSD17B10 (0.51) HSD17B10KMT2AMEN1VCAM1TP53
SCHEMBL8877704 0.68 HSD17B10 (0.51) HSD17B10KMT2AMEN1VCAM1TP53
SCHEMBL1663175 0.67 HSD17B10 (0.60) HSD17B10KMT2AMEN1VCAM1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4363401-A1 BIO-BASED ISETHIONATE COMPOUNDS Clariant International Ltd (CH) 2024-05-08 EP disclosed
WO-2024074693-A1 BIO-BASED ANTIMICROBIAL COMPOUNDS CLARIANT INTERNATIONAL LTD (CH) 2024-04-11 WO disclosed
WO-2024074409-A1 COMBINATION COMPRISING A GLUCAMIDE AND A CO-EMULSIFIER CLARIANT INTERNATIONAL LTD (CH) 2024-04-11 WO disclosed
EP-4349806-A1 BIO-BASED ANTIMICROBIAL COMPOUNDS Clariant International Ltd (CH) 2024-04-10 EP disclosed
EP-3229918-B1 COMPOSITION AND PROCEDURE FOR TREATING KERATINIC FIBERS WITH FLASH EVAPORATION HENKEL AG & CO KGAA (DE) 2024-03-13 EP disclosed
WO-2023247803-A2 ANTIMICROBIAL COMBINATIONS CLARIANT INTERNATIONAL LTD (CH) 2023-12-28 WO disclosed
WO-2023227802-A1 ANTIMICROBIAL COMBINATIONS CLARIANT INTERNATIONAL LTD (CH) 2023-11-30 WO disclosed
WO-2023180560-A1 COMPOSITION FOR ENHANCING KERATIN FIBERS WELLA GERMANY GMBH (DE) 2023-09-28 WO disclosed
EP-4245293-A1 USE OF SUGAR AMINES AS COMPLEXING AGENTS Clariant International Ltd (CH) 2023-09-20 EP disclosed
US-11753379-B2 Process for forming 2-hydroxypyridine-1-oxide or derivatives thereof CLARIANT INTERNATIONAL LTD (CH) 2023-09-12 US disclosed
WO-2000021496-A1 AGENT AND METHOD FOR DYEING FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2000-04-20 WO disclosed
WO-1999059529-A2 AGENTS AND METHOD FOR PRODUCING SEMI-PERMANENT COLORATIONS OF KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed
EP-0943316-A2 Means for coloring and decoloring of hair Wella Aktiengesellschaft (DE) 1999-09-22 EP disclosed
EP-0898954-A2 Composition for dyeing keratin fibres Wella Aktiengesellschaft (DE) 1999-03-03 EP disclosed
EP-0891971-A1 Bispyrazole-aza compounds, processes for their preparation, and hair dyeing agents containing these compounds Wella Aktiengesellschaft (DE) 1999-01-20 EP disclosed
EP-0889719-A1 AGENTS FOR DYING AND DECOLORIZING FIBERS Wella Aktiengesellschaft (DE) 1999-01-13 EP disclosed
EP-0877593-A1 AGENT FOR DYEING AND DECOLORIZING FIBERS Wella Aktiengesellschaft (DE) 1998-11-18 EP disclosed
EP-0867171-A2 Powder composition for the preparation of gels comprising a methyl hydroxyalkyl cellulose Wella Aktiengesellschaft (DE) 1998-09-30 EP disclosed
WO-1998023247-A1 AGENT FOR DYEING AND DECOLORIZING FIBERS WELLA AKTIENGESELLSCHAFT (DE) 1998-06-04 WO disclosed
WO-1998022078-A1 AGENTS FOR DYING AND DECOLORIZING FIBERS WELLA AKTIENGESELLSCHAFT (DE) 1998-05-28 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 (1 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-11753379-B2 Process for forming 2-hydroxypyridine-1-oxide or derivatives thereof HMOX2, HMOX1, HPD HSD17B10 329/4885KMT2A 1161/4885MEN1 2315/4885

“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.