SCHEMBL3633601

SCHEMBL3633601

CCCn1c(-c2ccc(Nc3ccc(OC)cc3)cc2)nc2cccc(Cl)c21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.58
ALDH1A1 P00352 9/20 0.58
GAA P10253 4/20 0.58
TSHR P16473 3/20 0.58
LMNA P02545 3/20 0.58
NPSR1 Q6W5P4 2/20 0.58
GRM5 P41594 2/20 0.56
HSD17B10 Q99714 3/20 0.52
SMN1; SMN2 Q16637 6/20 0.46
HTT P42858 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CNR2 P34972 1/20 0.46
TP53 P04637 5/20 0.46
MAPT P10636 5/20 0.46
HPGD P15428 4/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
CASR P41180 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL3633806 0.90 GRM5 (0.58) KDM4EALDH1A1GAATSHRLMNA
SCHEMBL3630176 0.89 GRM5 (0.57) KDM4EALDH1A1GAATSHRLMNA
SCHEMBL3635765 0.89 GRM5 (0.58) KDM4EALDH1A1GAATSHRLMNA
SCHEMBL3635985 0.89 GRM5 (0.59) KDM4EALDH1A1GAATSHRLMNA
SCHEMBL3634721 0.89 GRM5 (0.59) KDM4EALDH1A1GAATSHRLMNA
SCHEMBL3634762 0.86 GRM5 (0.77) KDM4EALDH1A1GAATSHRLMNA
SCHEMBL3637919 0.84 GRM5 (0.77) KDM4EALDH1A1GAATSHRLMNA
SCHEMBL3633414 0.84 GRM5 (0.47) KDM4EALDH1A1GAATSHRLMNA
SCHEMBL3633677 0.79 GRM5 (0.61) KDM4EALDH1A1GAATSHRLMNA
SCHEMBL3634263 0.79 GRM5 (0.61) KDM4EALDH1A1GAATSHRLMNA

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
EP-2146969-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Novartis Ag (CH) 2010-01-27 EP disclosed
US-20090105266-A1 Organic compounds NOVARTIS AG (CH) 2009-04-23 US disclosed
WO-2008128968-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 NOVARTIS AG (CH) 2008-10-30 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-20090105266-A1 Organic compounds SLCO2B1, SLCO1B1, SLCO1B3 KDM4E 2938/4885ALDH1A1 45/4885GAA 597/4885

“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.