SCHEMBL5451202

SCHEMBL5451202

COc1cccc(C)c1Nc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
TAAR1 Q96RJ0 1/20 0.51
CXCR2 P25025 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAPGEF4 Q8WZA2 1/20 0.47
SRC P12931 1/20 0.46
GAA P10253 1/20 0.45
PLAU P00749 1/20 0.44
POLB P06746 2/20 0.44
KMT2A Q03164 2/20 0.44
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
ATM Q13315 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43

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
SCHEMBL15883236 0.88 CA12 (0.50) ALDH1A1CYP1A2CYP3A4CYP2C19RAPGEF4
SCHEMBL11219354 0.87 ALDH1A1 (0.61) ALDH1A1TAAR1CYP1A2CYP3A4CYP2C19
SCHEMBL8014673 0.82 ALDH1A1 (0.61) ALDH1A1CXCR2CYP3A4RAPGEF4GAA
SCHEMBL16001849 0.81 TAAR1 (0.51) TAAR1
SCHEMBL15883199 0.80 ALDH1A1 (0.55) ALDH1A1TAAR1CYP1A2CYP3A4CYP2C19
SCHEMBL24318169 0.78 ALDH1A1 (0.62) ALDH1A1CXCR2CYP1A2CYP3A4CYP2C19
SCHEMBL11664862 0.76 TAAR1 (0.49) ALDH1A1TAAR1CYP1A2CYP3A4CYP2C19
SCHEMBL11541393 0.76 HTT (0.54) CXCR2KMT2AKCNK3KCNK9CA12
SCHEMBL2927671 0.76 POLB (0.56) ALDH1A1CYP1A2CYP3A4CYP2C19GAA
SCHEMBL29999663 0.76 POLB (0.56) ALDH1A1CYP1A2CYP3A4CYP2C19GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 US disclosed
EP-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 EP 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-20070249620-A1 Urea Derivative UGP2, SLC14A1, DGAT1 ALDH1A1 731/4885TAAR1 1550/4885CXCR2 1895/4885

“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.