SCHEMBL3876773

SCHEMBL3876773

CCc1cc(N)c2sc3ccccc3c2c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
ATM Q13315 2/20 0.40
ALDH1A1 P00352 7/20 0.38
MAPT P10636 7/20 0.38
LMNA P02545 3/20 0.38
POLB P06746 2/20 0.38
HCRTR1 O43613 2/20 0.38
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
RAB9A P51151 4/20 0.38
KDM4E B2RXH2 3/20 0.38
LIMK1 P53667 2/20 0.37
IKBKB O14920 1/20 0.37
HPGD P15428 4/20 0.37
KMT2A Q03164 3/20 0.37
GLA P06280 2/20 0.37
ALOX15 P16050 2/20 0.37
MEN1 O00255 2/20 0.37

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
SCHEMBL3884425 0.88 L3MBTL1 (0.40) L3MBTL1ATMALDH1A1MAPTLMNA
SCHEMBL3882583 0.80 ALDH1A1 (0.44) L3MBTL1ATMALDH1A1MAPTLMNA
SCHEMBL5713588 0.77 MAPT (0.38) L3MBTL1ALDH1A1MAPTLMNAPOLB
SCHEMBL3876292 0.77 ALDH1A1 (0.38) L3MBTL1ATMALDH1A1MAPTLMNA
SCHEMBL3879057 0.76 MAPT (0.40) L3MBTL1ATMALDH1A1MAPTLMNA
SCHEMBL3875812 0.76 MAPK3 (0.45) L3MBTL1ATMALDH1A1MAPTHCRTR1
SCHEMBL3879312 0.72 IKBKB (0.48) L3MBTL1ATMALDH1A1MAPTLMNA
SCHEMBL3882237 0.71 GPR3 (0.46) ALDH1A1MAPTTNKSTNKS2RAB9A
SCHEMBL9778555 0.71 PKM (0.42) ALDH1A1MAPTLMNAPOLBRAB9A
SCHEMBL3874443 0.71 PKM (0.53) L3MBTL1ALDH1A1MAPTLMNAPOLB

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 2776/4885ALDH1A1 660/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 L3MBTL1 4308/4885ATM 2776/4885ALDH1A1 660/4885

“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.