SCHEMBL4799490

SCHEMBL4799490

CC(=O)NC(=Cc1cc(C)c(N)c(Cl)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.46
▸ RECQL P46063 1/20 0.43
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ITGB1 P05556 2/20 0.34
▸ ITGA4 P13612 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 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
SCHEMBL4799478 1.00 MCL1 (0.46) MCL1RECQLMEN1KMT2AITGB1
SCHEMBL3091267 0.91 MEN1 (0.42) MCL1RECQLMEN1KMT2AALDH1A1
SCHEMBL3091281 0.91 MEN1 (0.42) MCL1RECQLMEN1KMT2AALDH1A1
SCHEMBL3091278 0.91 MEN1 (0.42) MCL1RECQLMEN1KMT2AALDH1A1
SCHEMBL1206815 0.86 MEN1 (0.40) MCL1RECQLMEN1KMT2AALDH1A1
SCHEMBL1206816 0.86 TSHR (0.38) MCL1RECQLMEN1KMT2AITGB1
SCHEMBL5231447 0.86 MEN1 (0.40) MCL1RECQLMEN1KMT2AALDH1A1
SCHEMBL1205495 0.83 MCL1 (0.42) MCL1RECQLITGB1ITGA4
SCHEMBL1205496 0.83 MCL1 (0.42) MCL1RECQLITGB1ITGA4
SCHEMBL3563128 0.83 MCL1 (0.42) MCL1RECQLITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439237-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-21 — — US disclosed
US-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 — — US disclosed
US-20050282857-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-22 — — 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 (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-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA MCL1 4556/4885RECQL 756/4885MEN1 593/4885
US-20050282857-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA MCL1 4556/4885RECQL 756/4885MEN1 593/4885

“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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