SCHEMBL677001

SCHEMBL677001

CCCCCc1nc2[nH]c3ccc(C(=O)CCC(=O)O)cc3c2cc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MMP2 P08253 1/20 0.36
MMP12 P39900 1/20 0.36
CYP1A2 P05177 2/20 0.36
PARP1 P09874 1/20 0.36
APEX1 P27695 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
TLR8 Q9NR97 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 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
SCHEMBL675945 0.86 TLR8 (0.47) OXER1L3MBTL1MMP2MMP12CYP1A2
SCHEMBL676280 0.85 HTT (0.41) PARP1
SCHEMBL3424510 0.82 LTB4R (0.40) OXER1L3MBTL1MMP2MMP12CYP1A2
SCHEMBL3727412 0.82 MEN1 (0.44) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL676539 0.81 PARP1 (0.39) OXER1L3MBTL1MMP2MMP12CYP1A2
SCHEMBL3726340 0.80 L3MBTL1 (0.41) OXER1L3MBTL1MMP2MMP12CYP1A2
SCHEMBL677179 0.77 DHFR (0.42) MMP2CYP1A2HSD17B10MEN1KMT2A
SCHEMBL3721109 0.76 PARP1 (0.43) OXER1L3MBTL1MMP2MMP12CYP1A2
SCHEMBL676563 0.74 MAPKAPK2 (0.38) CYP1A2PARP1HSD17B10MEN1KMT2A
SCHEMBL674652 0.74 CYP1A2 (0.43) CYP1A2PARP1APEX1ALDH1A1HPGD

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 OXER1 3999/4885L3MBTL1 1883/4885MMP2 2741/4885

“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.