SCHEMBL5735622

SCHEMBL5735622

Cc1ccc(N2NC(=O)/C(=C/c3ccco3)C2=O)cc1Cl

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.76
POLB P06746 6/20 0.62
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
MAPT P10636 5/20 0.62
ALDH1A1 P00352 4/20 0.62
RECQL P46063 2/20 0.62
ABL1 P00519 1/20 0.60
SRC P12931 1/20 0.60
SYK P43405 1/20 0.58
EGFR P00533 1/20 0.55
EP300 Q09472 2/20 0.52
CREBBP Q92793 1/20 0.52
DYRK1A Q13627 6/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
CSNK2A2 P19784 1/20 0.52
CSNK2B P67870 1/20 0.52
CSNK2A1 P68400 1/20 0.52
ATM Q13315 1/20 0.52

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
SCHEMBL5735625 1.00 NR4A1 (0.76) NR4A1POLBMEN1KMT2AMAPT
SCHEMBL13856167 0.86 NR4A1 (1.00) NR4A1POLBMEN1KMT2AMAPT
SCHEMBL3755954 0.79 ITGA4 (0.65) NR4A1POLBMEN1KMT2AMAPT
SCHEMBL3755958 0.79 ITGA4 (0.65) NR4A1POLBMEN1KMT2AMAPT
SCHEMBL3757779 0.78 NR4A1 (0.64) NR4A1POLBMEN1KMT2AMAPT
SCHEMBL3757780 0.78 NR4A1 (0.64) NR4A1POLBMEN1KMT2AMAPT
SCHEMBL5734258 0.78 ABL1 (0.64) NR4A1POLBMEN1KMT2AMAPT
SCHEMBL5734261 0.78 ABL1 (0.64) NR4A1POLBMEN1KMT2AMAPT
SCHEMBL5735693 0.77 NR4A1 (0.63) NR4A1POLBMEN1KMT2AMAPT
SCHEMBL5735689 0.77 NR4A1 (0.63) NR4A1POLBMEN1KMT2AMAPT

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
WO-2014120683-A1 SMALL-MOLECULE INHIBITORS TARGETING G-PROTEIN-COUPLED RHO GUANINE NUCLEOTIDE EXCHANGE FACTORS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2014-08-07 WO claimed
EP-1399156-B1 ALKYLIDENE PIRAZOLIDINEDIONE DERIVATIVES AND THEIR USE FOR TREATING DIABETES AND OBESITY APPLIED RESEARCH SYSTEMS (AN) 2006-11-22 EP claimed
US-20040220188-A1 Alkylidene pyrazolidinedione derivatives LABORATOIRES SERONO SA (CH) 2004-11-04 US claimed
US-9951024-B2 Small-molecule inhibitors targeting G-protein-coupled Rho guanine nucleotide exchange factors CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2018-04-24 US disclosed
US-20170349553-A1 SMALL- MOLECULE INHIBITORS TARGETING G-PROTEIN-COUPLED RHO GUANINE NUCLEOTIDE EXCHANGE FACTORS UNIVERSITY OF CINCINNATI 2017-12-07 US disclosed
US-20160083353-A1 SMALL-MOLECULE INHIBITORS TARGETING G-PROTEIN-COUPLED RHO GUANINE NUCLEOTIDE EXCHANGE FACTORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-24 US disclosed
WO-2014120683-A1 SMALL-MOLECULE INHIBITORS TARGETING G-PROTEIN-COUPLED RHO GUANINE NUCLEOTIDE EXCHANGE FACTORS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2014-08-07 WO disclosed
EP-1399156-B1 ALKYLIDENE PIRAZOLIDINEDIONE DERIVATIVES AND THEIR USE FOR TREATING DIABETES AND OBESITY APPLIED RESEARCH SYSTEMS (AN) 2006-11-22 EP disclosed
US-20040220188-A1 Alkylidene pyrazolidinedione derivatives LABORATOIRES SERONO SA (CH) 2004-11-04 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-20160083353-A1 SMALL-MOLECULE INHIBITORS TARGETING G-PROTEIN-COUPLED RHO GUANINE NUCLEOTIDE EXCHANGE FACTORS ARHGEF1, ARHGEF2, ARHGDIB NR4A1 4748/4885POLB 3873/4885MEN1 2743/4885
US-20040220188-A1 Alkylidene pyrazolidinedione derivatives G6PC1, PPM1D, PTPRS NR4A1 2744/4885POLB 4641/4885MEN1 3799/4885
US-20170349553-A1 SMALL- MOLECULE INHIBITORS TARGETING G-PROTEIN-COUPLED RHO GUANINE NUCLEOTIDE EXCHANGE FACTORS ARHGEF1, ARHGEF2, ARHGDIB NR4A1 4748/4885POLB 3873/4885MEN1 2743/4885

“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.