SCHEMBL3635976

SCHEMBL3635976

Cc1ccc(Nc2ncc(C(=O)O)cc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.51
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 2/20 0.45
HSD17B10 Q99714 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 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 0.88 GRM5 (0.58) GRM5HDAC3HDAC1HDAC2HDAC6
SCHEMBL3635781 0.87 HCAR3 (0.54) GRM5HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL3628259 0.86 GRM5 (0.67) GRM5
SCHEMBL3633584 0.86 MAPT (0.58) GRM5HDAC3HDAC1HDAC2HDAC6
SCHEMBL3636750 0.84 SMARCA2 (0.47) GRM5TDP1CSNK2A2CSNK2BCSNK2A1
SCHEMBL4221699 0.83 P2RY12 (0.57) GRM5SMN1; SMN2KDM4ERAB9AHSD17B10
SCHEMBL4514060 0.78 GRM5 (0.57) GRM5HDAC3HDAC1HDAC2HDAC6
SCHEMBL3636023 0.76 MAPT (0.56) GRM5SMN1; SMN2MAPTKDM4ENPC1
SCHEMBL4514156 0.76 MAPT (0.70) GRM5HDAC3HDAC1HDAC2HDAC6
SCHEMBL3634259 0.75 GRM5 (0.67) GRM5

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 4545/4885HDAC3 194/4885HDAC1 125/4885

“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.