SCHEMBL675110

SCHEMBL675110

O=[N+]([O-])c1ccc(-c2ccc3[nH]c4nc(-c5ccc([N+](=O)[O-])cc5)ccc4c3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
MAPT P10636 10/20 0.45
MMP2 P08253 4/20 0.43
MMP9 P14780 4/20 0.43
MMP8 P22894 4/20 0.43
MMP13 P45452 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CASP3 P42574 1/20 0.43
HTT P42858 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA2 P47869 1/20 0.42
PARP1 P09874 1/20 0.41

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
SCHEMBL676125 0.86 GRIN2D (0.45) ADORA2AADORA1MAPTMMP2MMP9
SCHEMBL675279 0.80 MAPT (0.50) MAPT
SCHEMBL676119 0.76 MAPT (0.48) MAPTNPC1RAB9AMEN1ALDH1A1
SCHEMBL674243 0.75 GABRA1 (0.47) MAPTMMP2MMP9MMP8MMP13
SCHEMBL675109 0.75 PTPN1 (0.45) ADORA1MAPTRAB9AMEN1ALDH1A1
SCHEMBL675828 0.74 IDO1 (0.56) ADORA2AADORA1MAPTNPC1RAB9A
SCHEMBL679355 0.74 ADORA2A (0.57) ADORA2AADORA1MAPTGABRA1GABRG2
SCHEMBL674678 0.73 ALK (0.55) IDO1MEN1KMT2A
SCHEMBL675939 0.72 ALK (0.56) MAPTGABRA1GABRG2GABRB3GABRA5
SCHEMBL677993 0.72 EGFR (0.47) MAPTNPC1RAB9AMEN1ALDH1A1

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 ADORA2A 4167/4885ADORA1 3186/4885MAPT 1494/4885

“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.