SCHEMBL677000

SCHEMBL677000

NCCCCCc1cnc2[nH]c3ccc(C(=O)CCC(=O)O)cc3c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
PARP1 P09874 2/20 0.37
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
GART P22102 5/20 0.35
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
APEX1 P27695 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
SERPINE1 P05121 1/20 0.33
MAP2K7 O14733 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 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
SCHEMBL3726340 0.89 L3MBTL1 (0.41) CYP1A2PARP1APEX1L3MBTL1SERPINE1
SCHEMBL676279 0.84 HTT (0.41) PARP1HTT
SCHEMBL3727411 0.82 MEN1 (0.42) MEN1ALDH1A1KMT2AKDM4EMAPT
SCHEMBL675944 0.80 CYP1A2 (0.37) CYP1A2PARP1ITGB3ITGA2BGART
SCHEMBL676538 0.80 PARP1 (0.43) CYP1A2PARP1ITGB3ITGA2BMEN1
SCHEMBL675443 0.79 MAP2 (0.44) CYP1A2PARP1ALDH1A1KMT2AKDM4E
SCHEMBL677178 0.76 SGK1 (0.40)
SCHEMBL3728130 0.74 HTT (0.43) PARP1HTT
SCHEMBL676562 0.74 ALK (0.36)
SCHEMBL678627 0.73 CYP1A2 (0.50) CYP1A2PARP1MEN1ALDH1A1KMT2A

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.