SCHEMBL3594973

SCHEMBL3594973

O=C(O)Cn1c(-c2ccccc2)c(Cl)nc(Cl)c1=O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
HSD17B10 Q99714 1/20 0.49
AKR1B10 O60218 3/20 0.46
F7 P08709 7/20 0.45
F3 P13726 7/20 0.45
F2 P00734 5/20 0.45
APEX1 P27695 1/20 0.44

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
SCHEMBL3590750 0.85 KDM4E (0.48) KDM4EHSD17B10AKR1B10F7F3
SCHEMBL23460607 0.84 F7 (0.63) F7F3F2
SCHEMBL14648291 0.83 F7 (0.63) KDM4EHSD17B10F7F3F2
SCHEMBL23511239 0.82 F7 (0.67) F7F3F2
SCHEMBL5847598 0.81 F2 (0.50) F7F3F2
SCHEMBL2145480 0.81 F7 (0.65) F7F3F2
SCHEMBL5848054 0.79 F7 (0.67) F7F3F2
SCHEMBL5847557 0.77 F7 (0.52) F7F3F2
SCHEMBL7398979 0.72 ALDH1A1 (0.41) KDM4EAKR1B10
SCHEMBL5847414 0.72 F7 (0.51) F7F3F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056498-A1 SUBSTITUTED MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-03-04 US disclosed
US-7629338-B2 Substituted monocyclic CGRP receptor antagonists MERCK & CO., INC. (US) 2009-12-08 US disclosed
US-7625901-B2 Substituted monocyclic CGRP receptor antagonists MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-20080318927-A1 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME LLC 2008-12-25 US disclosed
US-20070265225-A1 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME LLC 2007-11-15 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 (3 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-20100056498-A1 SUBSTITUTED MONOCYCLIC CGRP RECEPTOR ANTAGONISTS QRFPR, CALCRL, EDNRB KDM4E 1758/4885HSD17B10 4383/4885AKR1B10 1331/4885
US-20080318927-A1 Substituted monocyclic CGRP receptor antagonists EDNRB, CALCRL, QRFPR KDM4E 1761/4885HSD17B10 4384/4885AKR1B10 1259/4885
US-20070265225-A1 Substituted monocyclic CGRP receptor antagonists QRFPR, CALCRL, EDNRB KDM4E 1758/4885HSD17B10 4383/4885AKR1B10 1331/4885

“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.