SCHEMBL675944

SCHEMBL675944

NCCCCCc1ccc2c(n1)[nH]c1ccc(C(=O)CCC(=O)O)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
PARP1 P09874 2/20 0.37
ITGB3 P05106 4/20 0.35
ITGA2B P08514 4/20 0.35
GART P22102 3/20 0.35
FOLR2 P14207 1/20 0.35
FOLR1 P15328 1/20 0.35
CTNNB1 P35222 2/20 0.34
WNT3A P56704 2/20 0.34
APEX1 P27695 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAP2K7 O14733 1/20 0.33
HTR7 P34969 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 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
SCHEMBL3424510 0.88 LTB4R (0.40) CYP1A2PARP1CTNNB1WNT3AAPEX1
SCHEMBL676537 0.85 PARP1 (0.36) CYP1A2PARP1ITGB3ITGA2BGART
SCHEMBL3724173 0.84 HTT (0.43) PARP1ALDH1A1HPGDHSD17B10HTT
SCHEMBL676999 0.81 L3MBTL1 (0.37) CYP1A2PARP1ITGB3ITGA2BGART
SCHEMBL3724387 0.81 TP53 (0.45) ALDH1A1HPGDCYP2C19MEN1TP53
SCHEMBL677000 0.80 CYP1A2 (0.39) CYP1A2PARP1ITGB3ITGA2BGART
SCHEMBL676538 0.78 PARP1 (0.43) CYP1A2PARP1ITGB3ITGA2BAPEX1
SCHEMBL674652 0.78 CYP1A2 (0.43) CYP1A2PARP1CTNNB1WNT3AAPEX1
SCHEMBL675943 0.77 PARP1 (0.38) CYP1A2PARP1ITGB3ITGA2BCTNNB1
SCHEMBL676201 0.76 NPY1R (0.42)

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-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 EP 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-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 CYP1A2 1915/4885PARP1 1309/4885ITGB3 2819/4885

“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.