SCHEMBL3884425

SCHEMBL3884425

CCc1cc(N)c2c(sc3ccccc32)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
ATM Q13315 2/20 0.40
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 3/20 0.38
RAB9A P51151 3/20 0.38
LIMK1 P53667 2/20 0.37
IKBKB O14920 1/20 0.37
MAPT P10636 5/20 0.37
HPGD P15428 4/20 0.37
GLA P06280 2/20 0.37
ALOX15 P16050 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL3876773 0.88 L3MBTL1 (0.40) L3MBTL1ATMTNKSTNKS2ALDH1A1
SCHEMBL3887852 0.80 ALDH1A1 (0.41) L3MBTL1ATMTNKSTNKS2ALDH1A1
SCHEMBL3874480 0.77 MAPT (0.38) L3MBTL1ATMTNKSTNKS2ALDH1A1
SCHEMBL3873398 0.76 MAPT (0.40) ATMTNKSTNKS2ALDH1A1KDM4E
SCHEMBL3878009 0.76 MAPK3 (0.45) L3MBTL1ATMALDH1A1KDM4ERAB9A
SCHEMBL3876939 0.72 IKBKB (0.48) ATMTNKSTNKS2ALDH1A1KDM4E
SCHEMBL9778555 0.71 PKM (0.42) ALDH1A1KDM4ERAB9ALIMK1MAPT
SCHEMBL3882237 0.71 GPR3 (0.46) TNKSTNKS2ALDH1A1KDM4ERAB9A
SCHEMBL3877515 0.71 PKM (0.53) L3MBTL1ALDH1A1KDM4ERAB9ALIMK1
SCHEMBL3872729 0.71 IDO1 (0.39) ATMTNKSTNKS2ALDH1A1KDM4E

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 L3MBTL1 4308/4885ATM 2776/4885TNKS 2086/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 L3MBTL1 4308/4885ATM 2776/4885TNKS 2086/4885

“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.