SCHEMBL9228907

SCHEMBL9228907

CNc1cccnc1CO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.53
ALDH1A1 P00352 2/20 0.53
POLB P06746 4/20 0.40
KDM4E B2RXH2 4/20 0.40
ATM Q13315 1/20 0.40
RRM2 P31350 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 2/20 0.37
KMT2A Q03164 3/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 2/20 0.34
BRD4 O60885 1/20 0.34
P2RX7 Q99572 1/20 0.33

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
SCHEMBL6178457 0.85 ALDH1A1 (0.41) L3MBTL1ALDH1A1POLBKDM4EATM
SCHEMBL11489377 0.82 RRM2 (0.37) L3MBTL1ALDH1A1POLBKDM4EATM
SCHEMBL27879838 0.81 ALDH1A1 (0.50) L3MBTL1ALDH1A1POLBKDM4EHSD17B10
SCHEMBL29907676 0.80 AOC1 (0.43) L3MBTL1ALDH1A1POLBKDM4EATM
SCHEMBL21722629 0.80 AOC1 (0.43) L3MBTL1ALDH1A1POLBKDM4EATM
SCHEMBL21730317 0.80 CYP2A6 (0.41) L3MBTL1ALDH1A1POLBKDM4EATM
SCHEMBL12411096 0.79 ALDH1A1 (0.48) L3MBTL1ALDH1A1POLBHSD17B10KMT2A
SCHEMBL27498842 0.77 BACE1 (0.45) L3MBTL1ALDH1A1POLBKDM4EHSD17B10
SCHEMBL24461367 0.77 GLO1 (0.55) L3MBTL1ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL4346573 0.76 ALDH1A1 (0.48) L3MBTL1ALDH1A1POLBKDM4ETDP1

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
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
CN-102574845-A 1h-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG 2012-07-11 CN disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US 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-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A L3MBTL1 4234/4885ALDH1A1 1231/4885POLB 4156/4885

“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.