SCHEMBL6334754

SCHEMBL6334754

CC[n+]1ccc(Cl)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
CYP2C9 P11712 1/20 0.38
VCAM1 P19320 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6333065 0.95 HSD17B10 (0.40) HSD17B10CYP2C19ALDH1A1MAPTLMNA
SCHEMBL6741615 0.94 HSD17B10 (0.39) HSD17B10CYP2C19ALDH1A1MAPTLMNA
SCHEMBL6333892 0.89 HSD17B10 (0.44) HSD17B10CYP2C19ALDH1A1MAPTLMNA
SCHEMBL6334962 0.84 HSD17B10 (0.40) HSD17B10CYP2C19ALDH1A1MAPTLMNA
SCHEMBL6744503 0.83 HSD17B10 (0.39) HSD17B10CYP2C19ALDH1A1MAPTLMNA
SCHEMBL6334825 0.69 PTGER4 (0.38) HSD17B10CYP2C19ALDH1A1MAPTLMNA
SCHEMBL18768674 0.69 MAPT (0.46) HSD17B10CYP2C19ALDH1A1MAPTLMNA
SCHEMBL7786691 0.66 HSD17B10 (0.62) HSD17B10CYP2C19ALDH1A1MAPTLMNA
SCHEMBL13241715 0.66 HSD17B10 (0.62) HSD17B10ALDH1A1LMNAKMT2AMEN1
SCHEMBL6743936 0.66 KDM4E (0.39) ALDH1A1MAPTLMNAKMT2AMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6977001-B2 Dye compositions containing quinolinium salts WELLA AG (DE) 2005-12-20 US claimed
US-20030196281-A1 1-benzopyrane-derivatives and colouring agents containing the salts thereof WELLA AKTIENGESELLSCHAFT (DE) 2003-10-23 US claimed
US-20030177592-A1 Dye compositions containing quinolinium salts HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-09-25 US claimed
US-6977001-B2 Dye compositions containing quinolinium salts WELLA AG (DE) 2005-12-20 US disclosed
US-20030196281-A1 1-benzopyrane-derivatives and colouring agents containing the salts thereof WELLA AKTIENGESELLSCHAFT (DE) 2003-10-23 US disclosed
US-20030177592-A1 Dye compositions containing quinolinium salts HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-09-25 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 (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-20030196281-A1 1-benzopyrane-derivatives and colouring agents containing the salts thereof KRT18, COL2A1, PHB1 HSD17B10 873/4885CYP2C19 1939/4885ALDH1A1 9/4885

“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.