SCHEMBL5039601

SCHEMBL5039601

COc1cc2[nH]cnc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.41
XPO1 O14980 1/20 0.35
QPCT Q16769 5/20 0.33
CYP1A2 P05177 1/20 0.33
TMIGD3 P0DMS9 1/20 0.33
CYP2C9 P11712 1/20 0.33
ADORA1 P30542 1/20 0.33
HPGD P15428 2/20 0.33
BRD4 O60885 1/20 0.33
PDPK1 O15530 2/20 0.33
TP53 P04637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
PKM P14618 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5039279 0.74
SCHEMBL5036393 0.69
SCHEMBL12482951 0.69 CYP1A2 (0.60) CYP1A2TMIGD3CYP2C9ADORA1MAPT
SCHEMBL5036644 0.65 CYP1A2 (0.40) CYP1A2TMIGD3CYP2C9ADORA1MAPT
SCHEMBL9848734 0.64 GPR35 (0.42) HPGDMAPTKMT2ARAB9APKM
SCHEMBL5036529 0.63 XPO1 (0.36) XPO1KMT2ANPC1RAB9AALDH1A1
SCHEMBL5035941 0.63 MEN1 (0.40) XPO1BRD4KMT2A
SCHEMBL5041127 0.61 XPO1 (0.35) XPO1
SCHEMBL12613816 0.61 CYP2A6 (0.51) XPO1TP53MAPTKMT2ANPC1
SCHEMBL23123699 0.60 MMP12 (0.51) MMP12QPCTHPGDBRD4RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP disclosed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 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-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B MMP12 3858/4885XPO1 3442/4885QPCT 1959/4885

“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.