SCHEMBL1286092

SCHEMBL1286092

Cc1cc(OCc2ccccc2)cc([N+](=O)[O-])c1NC(=O)C1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
PTGER1 P34995 2/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
F10 P00742 4/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK14 Q16539 1/20 0.40
BRD4 O60885 2/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40

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
SCHEMBL1709134 0.83 PTGER1 (0.46) MAPTPTGER1SIRT2F10NPC1
SCHEMBL16789821 0.79 MEN1 (0.47) MAPTPTGER1MEN1KMT2ANPC1
SCHEMBL8408804 0.74 F10 (0.53) F10
SCHEMBL23795593 0.73 MAPK8 (0.60) MAPTPTGER1F10MAPK14
SCHEMBL19857113 0.71 MEN1 (0.55) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL1285187 0.71 MAPT (0.50) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL29502955 0.69 MAPT (0.56) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL29502953 0.69 MAPT (0.65) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL7808144 0.69 HPGD (0.64) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL1061802 0.69 MAPT (0.56) MAPTMEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379529-B1 CGRP-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-06-10 EP disclosed
US-8952014-B2 Pyrimidine derivatives which are CGRP—antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-8952014-B2 Pyrimidine derivatives which are CGRP—antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-20120088755-A1 Novel Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-12 US disclosed
EP-2379529-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-26 EP disclosed
WO-2010070022-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-24 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 (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-20120088755-A1 Novel Compounds SLC26A4, F12, SLCO1B3 MAPT 47/4885PTGER1 938/4885MEN1 894/4885

“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.