SCHEMBL676173

SCHEMBL676173

O=C(NCCc1ccc2[nH]c3nccc(-c4cccc([N+](=O)[O-])c4)c3c2c1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HPGD P15428 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
PTK6 Q13882 3/20 0.46
ERBB2 P04626 2/20 0.46
CXCR3 P49682 1/20 0.45
MAPT P10636 4/20 0.43
MAPK1 P28482 1/20 0.43
EGFR P00533 2/20 0.43
IGF1R P08069 2/20 0.43
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
HDAC1 Q13547 1/20 0.42
CYP1A2 P05177 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
SCHEMBL674591 0.87 ALK (0.50) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL674590 0.85 KDM5B (0.44) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL676187 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HPGDL3MBTL1MEN1
SCHEMBL698444 0.82 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2HPGDL3MBTL1MEN1
SCHEMBL676129 0.81 KMT2A (0.51) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL16294574 0.80 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2HPGDL3MBTL1MEN1
SCHEMBL675879 0.79 KDM5B (0.48) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL676086 0.79 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HPGDL3MBTL1MEN1
SCHEMBL676841 0.78 PTK6 (0.66) MEN1KMT2ANPC1PTK6ERBB2
SCHEMBL676518 0.77 ALK (0.48) ALDH1A1SMN1; SMN2HPGDKMT2ANPC1

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.