SCHEMBL10135441

SCHEMBL10135441

Cc1ccc(Sc2ccc(Cl)cc2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 2/20 0.50
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TP53 P04637 1/20 0.49
MAOA P21397 3/20 0.48
MAOB P27338 3/20 0.48
MEN1 O00255 1/20 0.45
GFER P55789 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK14 Q16539 1/20 0.40
GRM5 P41594 1/20 0.40
RHEB Q15382 1/20 0.40
NOTUM Q6P988 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL20345294 0.89 ALDH1A1 (0.53) ALDH1A1MAPTKMT2AHPGDOPRM1
SCHEMBL30832958 0.86 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AHPGDOPRM1
SCHEMBL47860 0.86 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AHPGDOPRM1
SCHEMBL20345262 0.82 MAPT (0.49) ALDH1A1MAPTKMT2AHPGDOPRM1
SCHEMBL12792110 0.82 MAPT (0.49) ALDH1A1MAPTKMT2AHPGDOPRM1
SCHEMBL11758794 0.82 TP53 (0.45) ALDH1A1MAPTKMT2AHPGDOPRM1
SCHEMBL20565650 0.82 CYP3A4 (0.45) ALDH1A1MAPTKMT2AHPGDSMN1; SMN2
SCHEMBL10007323 0.80 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AHPGDOPRM1
SCHEMBL11455389 0.78 CYP3A4 (0.61) ALDH1A1MAPTKMT2AHPGDOPRM1
SCHEMBL481976 0.78 MAOA (0.64) ALDH1A1MAPTKMT2AHPGDTP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 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 (1 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-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 ALDH1A1 1451/4885MAPT 825/4885KMT2A 2201/4885

“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.