SCHEMBL4514970

SCHEMBL4514970

O=C(OCc1cc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)nc1CCl)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CNR1 P21554 7/20 0.39
HPGD P15428 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
THRB P10828 1/20 0.36
PPARG P37231 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL4510528 0.89 MAPT (0.39) L3MBTL1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL4518576 0.86 SMN1; SMN2 (0.38) L3MBTL1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL4514869 0.76 RAB9A (0.40) L3MBTL1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL4038685 0.75 CRHR1 (0.37) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL4038688 0.74 CRHR1 (0.39) GABRA2GABRB2
SCHEMBL3114685 0.73 CRHR1 (0.38) L3MBTL1SMN1; SMN2MAPTCNR1GABRA2
SCHEMBL3102348 0.72 DPP4 (0.41)
SCHEMBL6666901 0.70 L3MBTL1 (0.74) L3MBTL1RAB9APOLBMAPTMEN1
SCHEMBL3109826 0.70 GRM5 (0.38) MAPTCNR1HPGDALDH1A1
SCHEMBL755285 0.68 L3MBTL1 (0.51) L3MBTL1NPC1RAB9ASMN1; SMN2POLB

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-20090203699-A1 AMINOMETHYLPYRIDINE DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS 2009-08-13 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-20090203699-A1 AMINOMETHYLPYRIDINE DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC USE THEREOF TPMT, QDPR, HNMT L3MBTL1 4820/4885NPC1 3884/4885RAB9A 2677/4885

“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.