SCHEMBL4930877

SCHEMBL4930877

Cc1cc(C#N)cc(Br)n1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TTR P02766 2/20 0.40
ALB P02768 2/20 0.40
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GRM5 P41594 1/20 0.38
LMNA P02545 1/20 0.35

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
SCHEMBL21121844 0.84 TTR (0.48) MEN1KMT2ATTRALBHTT
SCHEMBL1179216 0.84 KDM4E (0.45) MEN1KMT2ATTRALBKDM4E
SCHEMBL16976904 0.76 KDM4E (0.39) MEN1KMT2ATTRALBKDM4E
SCHEMBL17069067 0.75 GRM5 (0.49) MEN1KMT2AHTTKDM4EGRM5
SCHEMBL24156951 0.75 TTR (0.34) MEN1KMT2ATTRALBHTT
SCHEMBL583616 0.74 GRM5 (0.48) MEN1KMT2AKDM4EGRM5LMNA
SCHEMBL955626 0.74 NOS3 (0.52) HTTKDM4EGRM5
SCHEMBL23860799 0.74 HTT (0.42) MEN1KMT2ATTRALBHTT
SCHEMBL27919228 0.74 TTR (0.45) MEN1KMT2ATTRALBKDM4E
SCHEMBL24156964 0.74 MEN1 (0.36) MEN1KMT2ATTRALBHTT

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-20080161365-A1 e.g. 4-{3-fluoro-3-[2-methyl-6-(3-trifluoromethyl-benzylcarbamoyl)-pyridin-4-yl]-propyl}-benzoic acid; collagenases inhibitor; osteoarthritis or rheumatoid arthritis, heart failure, breast cancer metastasis, and other diseases that are mediated by MMP-13 overactivity PFIZER INC. (US) 2008-07-03 US disclosed
EP-1828133-A2 METHYLENE INHIBITORS OF MATRIX METALLOPROTEINASE Warner-Lambert Company LLC (US) 2007-09-05 EP disclosed
WO-2006061715-A2 METHYLENE INHIBITORS OF MATRIX METALLOPROTEINASE WARNER-LAMBERT COMPANY LLC (US) 2006-06-15 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-20080161365-A1 e.g. 4-{3-fluoro-3-[2-methyl-6-(3-trifluoromethyl-benzylcarbamoyl)-pyridin-4-yl]-propyl}-benzoic acid; collagenases inhibitor; osteoarthritis or rheumatoid arthritis, heart failure, breast cancer metastasis, and other diseases that are mediated by MMP-13 overactivity MMP13, MMP9, MMP11 MEN1 3461/4885KMT2A 792/4885TTR 1058/4885

“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.