SCHEMBL4497965

SCHEMBL4497965

COC(=O)/C(=C/c1cc(C)c(N)c(C(F)(F)F)c1)NC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.33
▸ APP P05067 3/20 0.33
▸ CFTR P13569 1/20 0.33
▸ EPHX1 P07099 1/20 0.30
▸ KDM4E B2RXH2 2/20 0.30
▸ HPGD P15428 2/20 0.30
▸ LMNA P02545 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL3522307 0.88 MEN1 (0.34) MEN1KMT2AALDH1A1APPEPHX1
SCHEMBL3522311 0.88 MEN1 (0.34) MEN1KMT2AALDH1A1APPEPHX1
SCHEMBL3522308 0.88 MEN1 (0.34) MEN1KMT2AALDH1A1APPEPHX1
SCHEMBL2165649 0.87 MEN1 (0.46) MEN1KMT2AALDH1A1EPHX1KDM4E
SCHEMBL1206815 0.82 MEN1 (0.40) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL5231447 0.82 MEN1 (0.40) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL2165871 0.78 GPR35 (0.41) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL2166096 0.76 MEN1 (0.43) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL2166094 0.76 MEN1 (0.43) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL4497968 0.76 F2 (0.34) ALDH1A1APPCFTRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528129-B2 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-05 — — US disclosed
US-20060252931-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 — — US 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-20060252931-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA MEN1 678/4885KMT2A 4813/4885ALDH1A1 1872/4885

“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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