SCHEMBL676187

SCHEMBL676187

O=C(NCCc1ccc2[nH]c3ncc(-c4cccc([N+](=O)[O-])c4)cc3c2c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HPGD P15428 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
CXCR3 P49682 1/20 0.46
KDM1A O60341 1/20 0.45
MAOA P21397 1/20 0.45
MAPT P10636 6/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
LMNA P02545 2/20 0.42
CDK8 P49336 1/20 0.42
RIPK1 Q13546 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL674809 0.88 HIF1A (0.48) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL674808 0.84 SNCA (0.42) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL698444 0.84 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2HPGDL3MBTL1NPC1
SCHEMBL676173 0.83 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDL3MBTL1NPC1
SCHEMBL16294574 0.83 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2HPGDL3MBTL1NPC1
SCHEMBL674926 0.80 TRPV1 (0.52) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL676908 0.80 CNR1 (0.52) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL675639 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HPGDL3MBTL1NPC1
SCHEMBL676326 0.78 GSK3B (0.43) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL676327 0.78 GSK3B (0.43) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A

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 4 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
CN-102203092-A Alfa-carboline inhibitors of npm-alk, ret, and bcr-abl UNIV DEGLI STUDI MILANO 2011-09-28 CN 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 ALDH1A1 749/4885SMN1; SMN2 3499/4885HPGD 4079/4885

“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.