SCHEMBL10153124

SCHEMBL10153124

Cc1ncn(-c2ccc(N)cc2C=O)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.33
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
MAPT P10636 4/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
THRB P10828 2/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
GAA P10253 2/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TNF P01375 1/20 0.32
ATR Q13535 1/20 0.31

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
SCHEMBL16279396 0.85 SRC (0.36) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL1956778 0.82 ERN1 (0.40) ALDH1A1KDM4ELMNAHSD17B10GAA
SCHEMBL1955751 0.78 ALDH1A1 (0.41) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL10153119 0.78 ALDH1A1 (0.49) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL19814290 0.77 MAPT (0.44) ALOX5APMEN1KMT2AMAPTALDH1A1
SCHEMBL512436 0.77 MAPT (0.39) ALOX5APMEN1KMT2AMAPTALDH1A1
SCHEMBL29878633 0.77 MAPT (0.39) ALOX5APMEN1KMT2AMAPTALDH1A1
SCHEMBL31284563 0.76 ALDH1A1 (0.49) ALOX5APMEN1KMT2AMAPTALDH1A1
SCHEMBL511425 0.75 NR4A1 (0.54) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL29637044 0.75 NR4A1 (0.54) MAPTALDH1A1KDM4ELMNAGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772504-B2 Substituted benzoxazole, benzimidazole, oxazolopyridine and imidazopyridine derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2014-07-08 US disclosed
US-20120022090-A1 NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-01-26 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-20120022090-A1 NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP ALOX5AP 3267/4885MEN1 3843/4885KMT2A 3462/4885

“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.