SCHEMBL3872855

SCHEMBL3872855

Nc1ccc(NCc2cccs2)c2c1sc1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.41
MAPT P10636 2/20 0.41
ADORA3 P0DMS8 4/20 0.39
ADORA2A P29274 4/20 0.39
ADORA2B P29275 4/20 0.39
ADORA1 P30542 4/20 0.39
POLB P06746 2/20 0.38
HPGD P15428 1/20 0.38
UTS2R Q9UKP6 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PDE5A O76074 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 1/20 0.37
NSD2 O96028 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
KCNH3 Q9ULD8 1/20 0.36
KDM4C Q9H3R0 1/20 0.35

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
SCHEMBL3884251 0.91 POLB (0.39) MAPTADORA3ADORA2AADORA2BADORA1
SCHEMBL3886270 0.80 RAB9A (0.45) APPMAPTADORA3ADORA2AADORA2B
SCHEMBL3886264 0.79 APP (0.40) APPMAPTADORA3ADORA2AADORA2B
SCHEMBL3874056 0.79 APP (0.45) APPMAPTADORA3POLBHPGD
SCHEMBL3877400 0.78 APP (0.40) APPMAPTADORA3POLBHPGD
SCHEMBL3886192 0.76 APP (0.46) APPMAPTADORA3POLBKMT2A
SCHEMBL3873553 0.75 NR1I3 (0.40) MAPTPOLBHPGDUTS2RMEN1
SCHEMBL3880326 0.74 APP (0.49) APPMAPTADORA3POLBHPGD
SCHEMBL3886260 0.74 UTS2R (0.53) MAPTPOLBUTS2RMEN1KMT2A
SCHEMBL3878111 0.72 NR1I3 (0.40) MAPTPOLBHPGDUTS2RMEN1

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 6 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
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 APP 2070/4885MAPT 420/4885ADORA3 4783/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 APP 2070/4885MAPT 420/4885ADORA3 4783/4885

“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.