SCHEMBL3874563

SCHEMBL3874563

Nc1cc(O)cc2sc3ccccc3c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
MAPT P10636 7/20 0.46
ALDH1A1 P00352 6/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HPGD P15428 2/20 0.46
GPR3 P46089 1/20 0.45
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
POLB P06746 2/20 0.42
GAA P10253 2/20 0.42
ALOX15 P16050 2/20 0.41
LMNA P02545 2/20 0.40
HCRTR1 O43613 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
IKBKB O14920 1/20 0.39
LIMK1 P53667 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL3874969 0.81 MAOA (0.75) MAOAMAOBMAPTALDH1A1RAB9A
SCHEMBL3876462 0.81 ALDH1A1 (0.58) MAOAMAOBMAPTALDH1A1RAB9A
SCHEMBL3875267 0.80 MAOA (0.39) MAOAMAOBGAAL3MBTL1ESR1
SCHEMBL22137027 0.77 MAPT (0.44) MAOAMAOBMAPTALDH1A1RAB9A
SCHEMBL6490609 0.76 MAOA (0.54) MAOAMAOBMAPTALDH1A1RAB9A
SCHEMBL3875866 0.75 ALDH1A1 (0.55) MAOAMAOBMAPTALDH1A1RAB9A
SCHEMBL3874863 0.75 MAPT (0.54) MAOAMAOBMAPTALDH1A1RAB9A
SCHEMBL3292566 0.75 GPR3 (0.54) MAOAMAOBMAPTALDH1A1RAB9A
SCHEMBL29671007 0.75 GPR3 (0.54) MAOAMAOBMAPTALDH1A1RAB9A
SCHEMBL24627993 0.73 MAOA (0.54) MAOAMAOBMAPTALDH1A1RAB9A

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-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US claimed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US claimed
US-7491245-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US disclosed
EP-1735059-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-12-27 EP disclosed
WO-2005099656-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 WO disclosed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 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 (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-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 MAOA 500/4885MAOB 1005/4885MAPT 420/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 MAOA 500/4885MAOB 1005/4885MAPT 420/4885

“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.