SCHEMBL4511779

SCHEMBL4511779

CCOC(=O)c1cc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)nc1CBr

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
HSD17B10 Q99714 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
CDC7 O00311 1/20 0.48
DBF4 Q9UBU7 1/20 0.48
KDM4E B2RXH2 2/20 0.47
CNR1 P21554 7/20 0.46
GABRA2 P47869 3/20 0.46
GABRB2 P47870 3/20 0.46
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
GCGR P47871 1/20 0.42

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
SCHEMBL13574337 0.90 HSD17B10 (0.47) MAPTHSD17B10SMN1; SMN2NPC1POLB
SCHEMBL4805155 0.89 CNR1 (0.47) MAPTHSD17B10SMN1; SMN2NPC1POLB
SCHEMBL4515129 0.88 HSD17B10 (0.58) MAPTHSD17B10SMN1; SMN2NPC1POLB
SCHEMBL4509242 0.85 MAPT (0.47) MAPTHSD17B10SMN1; SMN2NPC1POLB
SCHEMBL4514685 0.85 HSD17B10 (0.43) MAPTHSD17B10SMN1; SMN2NPC1POLB
SCHEMBL4504078 0.81 HSD17B10 (0.42) MAPTHSD17B10SMN1; SMN2NPC1POLB
SCHEMBL15391905 0.79 HSD17B10 (0.49) MAPTHSD17B10SMN1; SMN2NPC1POLB
SCHEMBL4681530 0.79 TARBP2 (0.54) MAPTHSD17B10SMN1; SMN2NPC1POLB
SCHEMBL14252657 0.78 ALDH1A1 (0.53) MAPTHSD17B10SMN1; SMN2NPC1TSHR
SCHEMBL13574329 0.78 HSD17B10 (0.57) MAPTHSD17B10SMN1; SMN2NPC1POLB

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
US-7345059-B2 Diphenylpyridine derivatives, preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2008-03-18 US disclosed
US-20060189664-A1 Diphenylpyridine derivatives, preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2006-08-24 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-20090203699-A1 AMINOMETHYLPYRIDINE DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC USE THEREOF TPMT, QDPR, HNMT MAPT 1642/4885HSD17B10 4108/4885SMN1; SMN2 771/4885
US-20060189664-A1 Diphenylpyridine derivatives, preparation and therapeutic application thereof CNR1, HDAC10, AKR1B10 MAPT 4011/4885HSD17B10 237/4885SMN1; SMN2 3595/4885

“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.