SCHEMBL2166984

SCHEMBL2166984

COC(=O)/C(=C/c1ccc(C)c(Cl)c1)NC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ALDH1A1 P00352 7/20 0.43
▸ MCL1 Q07820 1/20 0.40
▸ HPGD P15428 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL3093807 0.86 MCL1 (0.47) MEN1KMT2AALDH1A1MCL1SMN1; SMN2
SCHEMBL3093817 0.86 MCL1 (0.47) MEN1KMT2AALDH1A1MCL1SMN1; SMN2
SCHEMBL3093825 0.86 MCL1 (0.47) MEN1KMT2AALDH1A1MCL1SMN1; SMN2
SCHEMBL5230931 0.85 ALDH1A1 (0.40) MEN1KMT2AALDH1A1MCL1HPGD
SCHEMBL5231447 0.82 MEN1 (0.40) MEN1KMT2AALDH1A1MCL1HPGD
SCHEMBL1206815 0.82 MEN1 (0.40) MEN1KMT2AALDH1A1MCL1HPGD
SCHEMBL8430296 0.82 MEN1 (0.47) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL8430294 0.82 MEN1 (0.47) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL2166094 0.81 MEN1 (0.43) MEN1KMT2AALDH1A1MCL1HPGD
SCHEMBL2166096 0.81 MEN1 (0.43) MEN1KMT2AALDH1A1MCL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985747-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-26 — — US disclosed
US-20100249114-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-30 — — US disclosed
US-7700598-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-20 — — US disclosed
EP-2108648-A1 Selected CGRP antagonists, method for their manufacture and use as medicines Boehringer Ingelheim International GmbH (DE) 2009-10-14 — — EP disclosed
EP-1732917-B8 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2009-09-09 — — EP disclosed
EP-1732917-B1 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2009-07-29 — — EP disclosed
US-20090176770-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-09 — — US disclosed
EP-1732917-A1 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2006-12-20 — — EP disclosed
WO-2005092880-A1 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-06 — — 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-20090176770-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA MEN1 552/4885KMT2A 4658/4885ALDH1A1 1335/4885
US-20100249114-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA MEN1 552/4885KMT2A 4658/4885ALDH1A1 1335/4885

“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.

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