SCHEMBL3635781

SCHEMBL3635781

O=C(O)c1cnc(Nc2ccccc2)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.54
GRM5 P41594 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GSK3B P49841 3/20 0.47
GSK3A P49840 2/20 0.47
DHODH Q02127 1/20 0.46
CSNK2A1 P68400 3/20 0.46
BCL6 P41182 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
RHOA P61586 1/20 0.45
MGAM O43451 1/20 0.45
CSNK2A2 P19784 2/20 0.44
AURKA O14965 2/20 0.44
CSNK2B P67870 1/20 0.44
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL990334 0.89 GRM5 (0.58) GRM5MEN1KMT2ADHODHCSNK2A1
SCHEMBL3636750 0.88 SMARCA2 (0.47) HCAR3GRM5MEN1KMT2AGSK3B
SCHEMBL3635976 0.87 GRM5 (0.51) GRM5CSNK2A1HDAC6CSNK2A2CSNK2B
SCHEMBL3636023 0.85 MAPT (0.56) GRM5MEN1KMT2ACSNK2A1NPC1
SCHEMBL3628259 0.81 GRM5 (0.67) GRM5
SCHEMBL476528 0.78 ALDH1A1 (0.47) HCAR3MEN1KMT2AMGAMNPC1
SCHEMBL18338088 0.78 KMT2A (0.54) GRM5MEN1KMT2ACSNK2A1BCL6
SCHEMBL31132753 0.78 ALDH1A1 (0.47) HCAR3MEN1KMT2AMGAMNPC1
SCHEMBL476556 0.78 MAPT (0.48) HCAR3MEN1KMT2AMGAMNPC1
SCHEMBL4514060 0.76 GRM5 (0.57) GRM5MEN1KMT2ADHODHBCL6

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 HCAR3 3456/4885GRM5 4545/4885MEN1 2460/4885

“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.