SCHEMBL4913899

SCHEMBL4913899

Nc1cn(Oc2ccccc2)nc1N

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOA P21397 1/20 0.33
BCAT2 O15382 1/20 0.32
ADORA2A P29274 4/20 0.31
ADORA1 P30542 4/20 0.31
ADORA3 P0DMS8 2/20 0.31
LTA4H P09960 1/20 0.31
TSHR P16473 1/20 0.31
MAOB P27338 1/20 0.31
ADORA2B P29275 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL4924875 0.81 BRD4 (0.33) SMN1; SMN2KDM4EMEN1ALDH1A1MAPT
SCHEMBL4911096 0.73 DHFR (0.40) RAB9ASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL4912561 0.69 MAOA (0.39) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL3568443 0.65 ADORA1 (0.51) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL8756843 0.61 ADORA2A (0.53) SMN1; SMN2KDM4EALDH1A1KMT2AADORA2A
SCHEMBL4914126 0.61 CYP1A2 (0.35) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL4912323 0.61 NPC1 (0.33) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4909958 0.61 ALOX15 (0.37) SMN1; SMN2KDM4EMEN1ALDH1A1MAPT
SCHEMBL207641 0.61 NPC1 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL10876324 0.60 CYP19A1 (0.41) KDM4EMAPTKMT2ALTA4HTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7399317-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-07-15 US claimed
US-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY 2007-03-08 US claimed
US-7399317-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-07-15 US disclosed
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-04-24 US disclosed
EP-1781241-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-05-09 EP disclosed
US-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY 2007-03-08 US disclosed
WO-2006026488-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-03-09 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 (2 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-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KDM5A, NOX5 NPC1 4609/4885RAB9A 3674/4885SMN1; SMN2 4726/4885
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, KDM5A, NOX5 NPC1 4609/4885RAB9A 3674/4885SMN1; SMN2 4726/4885

“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.