SCHEMBL676539

SCHEMBL676539

CCCCCc1cc(N)c2c(n1)[nH]c1ccc(C(=O)CCC(=O)O)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
OXER1 Q8TDS5 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MMP2 P08253 1/20 0.36
MMP12 P39900 1/20 0.36
MCHR1 Q99705 4/20 0.35
ASIC3 Q9UHC3 1/20 0.35
APEX1 P27695 1/20 0.35
CYP1A2 P05177 3/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
PPARA Q07869 1/20 0.34
PLA2G4A P47712 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
LTB4R Q15722 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
SCHEMBL3731938 0.85 HTT (0.41) PARP1
SCHEMBL3424510 0.84 LTB4R (0.40) PARP1OXER1L3MBTL1MMP2MMP12
SCHEMBL3724366 0.82 MEN1 (0.43) ALDH1A1HPGDKDM4ECYP3A4MEN1
SCHEMBL677001 0.81 OXER1 (0.38) PARP1OXER1L3MBTL1MMP2MMP12
SCHEMBL675945 0.79 TLR8 (0.47) PARP1OXER1L3MBTL1MMP2MMP12
SCHEMBL3721109 0.79 PARP1 (0.43) PARP1OXER1L3MBTL1MMP2MMP12
SCHEMBL675732 0.78 KDM4E (0.43) MMP2MCHR1CYP1A2HSD17B10KDM4E
SCHEMBL675944 0.75 CYP1A2 (0.37) PARP1APEX1CYP1A2HSD17B10ALDH1A1
SCHEMBL3726340 0.75 L3MBTL1 (0.41) PARP1OXER1L3MBTL1MMP2MMP12
SCHEMBL676276 0.75 MCHR1 (0.41) MCHR1CYP1A2HSD17B10KDM4ECYP3A4

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 1309/4885OXER1 3999/4885L3MBTL1 1883/4885

“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.