SCHEMBL3634657

SCHEMBL3634657

COC(=O)c1ccc(Nc2ccc(C)nc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.56
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
GRM5 P41594 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL3635773 0.83 P4HTM (0.55) MAPK1KDM4EL3MBTL1SMN1; SMN2NPC1
SCHEMBL26436201 0.83 MAPK1 (0.54) MAPK1KDM4EL3MBTL1ALDH1A1GAA
SCHEMBL22031779 0.80 MAPK1 (0.62) MAPK1KDM4EL3MBTL1SMN1; SMN2NPC1
SCHEMBL14234945 0.78 NPSR1 (0.43) SMN1; SMN2NPC1ALDH1A1GAARAB9A
SCHEMBL29260502 0.78 MAPK1 (0.61) MAPK1KDM4EL3MBTL1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL22031814 0.78 MAPK1 (0.61) MAPK1KDM4EL3MBTL1SMN1; SMN2NPC1
SCHEMBL28594200 0.77 MAPK1 (0.48) MAPK1KDM4EL3MBTL1SMN1; SMN2KMT2A
SCHEMBL31598929 0.77 MAPK1 (0.59) MAPK1KDM4EL3MBTL1SMN1; SMN2NPC1
SCHEMBL11390294 0.77 MAPK1 (0.59) MAPK1KDM4EL3MBTL1SMN1; SMN2NPC1
SCHEMBL989845 0.76 GRM5 (0.62) MAPK1KDM4EL3MBTL1NPC1ALDH1A1

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 MAPK1 2649/4885KDM4E 2938/4885L3MBTL1 4222/4885

“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.