SCHEMBL3872729

SCHEMBL3872729

Nc1c(OCCO)cc(N)c2c1sc1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.39
PTPN1 P18031 4/20 0.35
PTPRC P08575 1/20 0.35
PTPRF P10586 1/20 0.35
PTPRA P18433 1/20 0.35
PTPRB P23467 1/20 0.35
PTPN6 P29350 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN12 Q05209 1/20 0.35
LIMK1 P53667 3/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
ALOX5 P09917 1/20 0.35
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
IKBKB O14920 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL3885247 0.90 IDO1 (0.39) IDO1PTPN1PTPRCPTPRFPTPRA
SCHEMBL3878009 0.79 MAPK3 (0.45) IDO1LIMK1CDK5CDK5R1ALDH1A1
SCHEMBL3887852 0.71 ALDH1A1 (0.41) IDO1PTPN1LIMK1CDK5CDK5R1
SCHEMBL3873398 0.71 MAPT (0.40) IDO1PTPN1LIMK1CDK5CDK5R1
SCHEMBL3873379 0.71 IDO1 (0.39) IDO1LIMK1ALOX5APFEN1ALDH1A1
SCHEMBL3884425 0.71 L3MBTL1 (0.40) LIMK1CDK5CDK5R1ALDH1A1MAPT
SCHEMBL3885334 0.69 IDO1 (0.40) IDO1LIMK1CDK5CDK5R1ALOX5AP
SCHEMBL3874480 0.69 MAPT (0.38) PTPN1LIMK1CDK5CDK5R1ALDH1A1
SCHEMBL26153456 0.69 IDO1 (0.42) IDO1PTPN1DUSP3PTPN12ALOX5
SCHEMBL3874920 0.68 IDO1 (0.39) IDO1LIMK1ALOX5ALOX5APFEN1

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 8 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
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 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 IDO1 3305/4885PTPN1 4503/4885PTPRC 3042/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 IDO1 3305/4885PTPN1 4503/4885PTPRC 3042/4885

“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.