SCHEMBL676537

SCHEMBL676537

CC(N)CCCc1ccc2c(n1)[nH]c1ccc(C(=O)CCC(=O)O)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.36
CYP1A2 P05177 2/20 0.35
FOLR1 P15328 4/20 0.35
FOLR2 P14207 3/20 0.35
GART P22102 3/20 0.35
DRD4 P21917 2/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR1B P28222 1/20 0.35
HTR1E P28566 1/20 0.35
HTR7 P34969 1/20 0.35
OPRM1 P35372 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
USP5 P45974 1/20 0.35
APEX1 P27695 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ITGB3 P05106 1/20 0.34

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
SCHEMBL676999 0.86 L3MBTL1 (0.37) PARP1CYP1A2FOLR1FOLR2GART
SCHEMBL3424510 0.86 LTB4R (0.40) PARP1CYP1A2APEX1ALDH1A1HPGD
SCHEMBL3731930 0.86 HTT (0.41) PARP1ALDH1A1
SCHEMBL675944 0.85 CYP1A2 (0.37) PARP1CYP1A2FOLR1FOLR2GART
SCHEMBL675943 0.82 PARP1 (0.38) PARP1CYP1A2DRD4HTR1ADRD2
SCHEMBL3724370 0.82 MEN1 (0.43) ALDH1A1HPGDCYP2C19KMT2A
SCHEMBL675733 0.77 JAK2 (0.36) CYP2C19
SCHEMBL674652 0.75 CYP1A2 (0.43) PARP1CYP1A2USP5APEX1ALDH1A1
SCHEMBL676277 0.75 IP6K1 (0.37)
SCHEMBL676278 0.73 HTT (0.44) PARP1KMT2A

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 PARP1 1309/4885CYP1A2 1915/4885FOLR1 1627/4885

“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.