SCHEMBL3636023

SCHEMBL3636023

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
MAPK1 P28482 4/20 0.56
POLB P06746 1/20 0.56
P2RY12 Q9H244 1/20 0.54
KDR P35968 2/20 0.50
PDGFRB P09619 1/20 0.50
TP53 P04637 2/20 0.48
LMNA P02545 2/20 0.48
TSHR P16473 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CSNK2A1 P68400 1/20 0.47
S1PR4 O95977 1/20 0.46
S1PR3 Q99500 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL4514156 0.89 MAPT (0.70) MAPTMAPK1POLBP2RY12KDR
SCHEMBL3633584 0.88 MAPT (0.58) MAPTMAPK1POLBP2RY12KDR
SCHEMBL3634871 0.88 MAPK1 (0.55) MAPTMAPK1POLBP2RY12L3MBTL1
SCHEMBL3635781 0.85 HCAR3 (0.54) LMNACSNK2A1MEN1KMT2ASMN1; SMN2
SCHEMBL31717138 0.83 PDGFRB (0.56) MAPTMAPK1POLBP2RY12KDR
SCHEMBL3629063 0.83 GRM5 (0.65) MAPTMAPK1POLBGRM5
SCHEMBL31717653 0.79 MAPK1 (0.78) MAPTMAPK1POLBKDRPDGFRB
SCHEMBL15441742 0.77 P2RY12 (0.50) MAPK1P2RY12KDRPDGFRBTP53
SCHEMBL4221699 0.76 P2RY12 (0.57) P2RY12KDRMEN1KMT2ASMN1; SMN2
SCHEMBL3635976 0.76 GRM5 (0.51) MAPTMAPK1POLBTP53CSNK2A1

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 MAPT 995/4885MAPK1 2649/4885POLB 1030/4885

“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.