SCHEMBL5530347

SCHEMBL5530347

COc1cccc(CC2(C(N)=O)CCCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
ATM Q13315 1/20 0.48
LMNA P02545 3/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
GAA P10253 1/20 0.48
ITGB1 P05556 1/20 0.47
ITGA4 P13612 1/20 0.47
THRB P10828 1/20 0.47

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
SCHEMBL27318039 0.86 L3MBTL1 (0.55) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL5523971 0.83 ALDH1A1 (0.46) KMT2ANPC1RAB9ALMNAPOLB
SCHEMBL28915350 0.82 MEN1 (0.72) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL30601824 0.80 L3MBTL1 (0.57) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL26128078 0.80 L3MBTL1 (0.57) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL5523326 0.79 CYP1A2 (0.43) L3MBTL1RAB9ALMNA
SCHEMBL5343612 0.79 MEN1 (0.50) MEN1KMT2ALMNAMAPTTHRB
SCHEMBL27761563 0.78 AKR1B1 (0.41) LMNAPOLBMAPTGAA
SCHEMBL2864888 0.78 MAOA (0.46) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL30781064 0.77 MEN1 (0.49) MEN1KMT2ALMNA

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
CN-100451004-C Pyrimidine derivatives ARENA PHARM INC (JP) 2009-01-14 CN disclosed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US disclosed
CN-1798736-A Novel quinoline, tetrahydroquinazoline and pyrimidine derivatives and methods of treatment related to their use ARENA PHARM INC (JP) 2006-07-05 CN 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 MEN1 647/4885KMT2A 792/4885L3MBTL1 3309/4885

“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.