SCHEMBL3633502

SCHEMBL3633502

Fc1ccc2[nH]c(-c3cnc(Nc4ccc(Cl)cc4)c(Cl)c3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.47
KDR P35968 9/20 0.43
MET P08581 6/20 0.43
PARP1 P09874 1/20 0.42
NPC1 O15118 3/20 0.40
AMY1A P0DUB6 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
APP P05067 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
SNCA P37840 1/20 0.39
NFKB2 Q00653 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3636743 0.88 GRM5 (0.50) GRM5KDRMETNPC1RAB9A
SCHEMBL3632867 0.86 KDR (0.54) GRM5KDRMETNPC1KDM4E
SCHEMBL27801687 0.84 NPC1 (0.48) GRM5KDRMETPARP1NPC1
SCHEMBL3336522 0.79 NPC1 (0.57) NPC1KDM4EALDH1A1HPGDRAB9A
SCHEMBL4516647 0.76 GRM5 (0.57) GRM5KDRMETMEN1KMT2A
SCHEMBL4505307 0.76 GRM5 (0.57) GRM5MAPT
SCHEMBL3634023 0.73 GRM5 (0.59) GRM5KDRNPC1RAB9AMAPT
SCHEMBL4518773 0.72 GRM5 (0.61) GRM5KDRNPC1ALDH1A1RAB9A
SCHEMBL3637525 0.71 GRM5 (0.61) GRM5KDRRAB9AMEN1KMT2A
SCHEMBL3632289 0.71 GRM5 (0.66) GRM5NPC1ALDH1A1RAB9ACYP11B1

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 GRM5 4545/4885KDR 4616/4885MET 3827/4885

“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.