SCHEMBL3880353

SCHEMBL3880353

O=Cc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.46
EIF4E P06730 1/20 0.45
SRD5A2 P31213 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
DHODH Q02127 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
CRHBP P24387 1/20 0.41
RAB9A P51151 1/20 0.41
CRHR2 Q13324 1/20 0.41
MARS1 P56192 3/20 0.41

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
SCHEMBL4807852 0.83 CNR1 (0.48) CNR1EIF4ESRD5A2SMN1; SMN2ALDH1A1
SCHEMBL3889534 0.82 CNR1 (0.50) CNR1EIF4ESRD5A2SMN1; SMN2ALDH1A1
SCHEMBL4805584 0.76 CNR1 (0.48) CNR1EIF4E
SCHEMBL4505429 0.76 DHODH (0.50) CNR1EIF4ESRD5A2SMN1; SMN2ALDH1A1
SCHEMBL15392431 0.73 EIF4E (0.45) CNR1EIF4ESRD5A2DHODHMARS1
SCHEMBL4807298 0.71 CNR1 (0.54) CNR1SRD5A2SMN1; SMN2KDM4ENPC1
SCHEMBL4906770 0.71 PTPN1 (0.47) CNR1EIF4ESMN1; SMN2DHODHKDM4E
SCHEMBL4515129 0.70 HSD17B10 (0.58) CNR1SMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL5358199 0.68 CNR1 (0.70) CNR1SRD5A2MARS1
SCHEMBL6498907 0.68 ALDH1A1 (0.61) EIF4ESRD5A2SMN1; SMN2ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203699-A1 AMINOMETHYLPYRIDINE DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS 2009-08-13 US disclosed
EP-2010492-A2 AMINOMETHYL PYRIDINE DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2009-01-07 EP disclosed
WO-2007119001-A2 AMINOMETHYL PYRIDINE DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-10-25 WO 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-20090203699-A1 AMINOMETHYLPYRIDINE DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC USE THEREOF TPMT, QDPR, HNMT CNR1 987/4885EIF4E 2839/4885SRD5A2 2161/4885

“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.