SCHEMBL676788

SCHEMBL676788

NCCCCCc1cnc2[nH]c3ccc(-c4cccc([N+](=O)[O-])c4)cc3c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.43
FAAH O00519 1/20 0.41
IDO1 P14902 1/20 0.39
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
MAPT P10636 1/20 0.38
SSTR1 P30872 1/20 0.38
SSTR2 P30874 1/20 0.38
SSTR3 P32745 1/20 0.38
SSTR5 P35346 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38

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
SCHEMBL3724337 0.89 PGR (0.44) PGRFAAHIDO1RAF1BRAF
SCHEMBL677178 0.85 SGK1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL674780 0.82 PGR (0.41) PGRIDO1MAPTSSTR1SSTR2
SCHEMBL675724 0.78 ALK (0.41) MAPTALKKMT2A
SCHEMBL675582 0.77 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL676787 0.76 PGR (0.41) PGRIDO1RAF1BRAFGABRA1
SCHEMBL675439 0.75 IDO1 (0.59) PGRIDO1RAF1BRAFMAPT
SCHEMBL678626 0.75 PLAU (0.47) PGRIDO1MAPTALKEGFR
SCHEMBL3724572 0.74 ALDH1A1 (0.40) PGRIDO1RAF1BRAFMAPT
SCHEMBL3724571 0.74 ALDH1A1 (0.40) PGRIDO1RAF1BRAFMAPT

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 PGR 2572/4885FAAH 3200/4885IDO1 2728/4885

“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.