SCHEMBL5063447

SCHEMBL5063447

Nc1ccc(C(=O)OCc2ccccc2)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.54
CHRM3 P20309 1/20 0.54
MAOA P21397 1/20 0.54
HTR2C P28335 1/20 0.54
CHRNA4 P43681 1/20 0.54
HTR3A P46098 1/20 0.54
KCNH2 Q12809 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
ALDH1A1 P00352 6/20 0.54
TDP1 Q9NUW8 3/20 0.53
POLB P06746 1/20 0.52
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL31448226 0.88 ALDH1A1 (0.54) ALDH1A1TDP1POLBSLC6A2SLC6A3
SCHEMBL24152237 0.88 ALDH1A1 (0.54) ALDH1A1TDP1POLBSLC6A2SLC6A3
SCHEMBL23812434 0.86 ALDH1A1 (0.63) ALDH1A1TDP1POLBSLC6A2SLC6A3
SCHEMBL2706430 0.85 NPC1 (0.63) ALDH1A1TDP1POLBSLC6A2SLC6A3
SCHEMBL5063395 0.85 TDP1 (0.59) ALDH1A1TDP1POLBSLC6A2SLC6A3
SCHEMBL4132618 0.84 ALDH1A1 (0.64) ALDH1A1TDP1POLBSLC6A2SLC6A3
SCHEMBL1165669 0.84 TDP1 (0.67) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL2146000 0.82 ALDH1A1 (0.54) ALDH1A1TDP1POLBSLC6A2SLC6A3
SCHEMBL12369122 0.82 ALDH1A1 (0.54) ALDH1A1TDP1POLBSLC6A2SLC6A3
SCHEMBL20695025 0.82 ALDH1A1 (0.57) ALDH1A1TDP1POLBSLC6A2SLC6A3

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-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-07-03 US disclosed
EP-1867639-A1 UREA DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2007-12-19 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-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these AVPR2, UTS2R, GPR119 CHRM2 21/4885CHRM3 73/4885MAOA 1157/4885

“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.