SCHEMBL6523394

SCHEMBL6523394

Cc1cc(Br)cc2cnn(C)c12

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 1/20 0.34
NQO2 P16083 1/20 0.33
EGLN1 Q9GZT9 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
LMNA P02545 1/20 0.30
PRNP P04156 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NOD2 Q9HC29 1/20 0.30

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
SCHEMBL17875685 0.82 PRNP (0.34) NMT1LMNAPRNPHPGDHTT
SCHEMBL12157664 0.82 CYP1A2 (0.34) SMN1; SMN2LMNAHPGD
SCHEMBL31162500 0.79 IDO1 (0.35) NMT1EGLN1SMN1; SMN2HTT
SCHEMBL27142029 0.79 IDO1 (0.33) NMT1
SCHEMBL19836577 0.79 IDO1 (0.35) NMT1EGLN1SMN1; SMN2HTT
SCHEMBL16728681 0.79 NMT1 (0.42) NMT1
SCHEMBL23323374 0.78 KCNH2 (0.34)
SCHEMBL21949197 0.78 MAPK1 (0.33) RAB9ALMNA
SCHEMBL15910720 0.78 SYK (0.33) NQO2
SCHEMBL17666340 0.77 SMN1; SMN2 (0.34) EGLN1SMN1; SMN2HPGD

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205590-B1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-06-04 EP disclosed
US-8629137-B2 CGRP antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-8629137-B2 CGRP antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-8629137-B2 CGRP antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20130029975-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20130029975-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20110059954-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-10 US disclosed
US-20110059954-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-10 US disclosed
US-20110059954-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-10 US disclosed
WO-2009050232-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO 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 (2 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-20110059954-A1 CGRP ANTAGONISTS CALCRL, CALCR, CALCA NMT1 1578/4885NQO2 588/4885EGLN1 4118/4885
US-20130029975-A1 CGRP ANTAGONISTS CALCRL, CALCR, CALCA NMT1 1578/4885NQO2 588/4885EGLN1 4118/4885

“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.