SCHEMBL5735693

SCHEMBL5735693

O=C1NN(c2ccc(-c3ccccc3)cc2)C(=O)C1=Cc1ccco1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.63
ITGA4 P13612 1/20 0.56
ITGB7 P26010 1/20 0.56
KMT2A Q03164 13/20 0.56
MEN1 O00255 12/20 0.56
POLB P06746 10/20 0.56
MAPT P10636 9/20 0.56
ALDH1A1 P00352 7/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
KDM4E B2RXH2 2/20 0.56
DNMT1 P26358 3/20 0.56
CTDSP1 Q9GZU7 3/20 0.56
GFER P55789 2/20 0.56
BLM P54132 2/20 0.53
GAA P10253 2/20 0.53
USP2 O75604 1/20 0.53
ABL1 P00519 1/20 0.52
SRC P12931 1/20 0.52
RECQL P46063 5/20 0.50
KLKB1 P03952 1/20 0.50

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
SCHEMBL5735689 1.00 NR4A1 (0.63) NR4A1ITGA4ITGB7KMT2AMEN1
SCHEMBL3755958 0.92 ITGA4 (0.65) NR4A1ITGA4ITGB7KMT2AMEN1
SCHEMBL3755954 0.92 ITGA4 (0.65) NR4A1ITGA4ITGB7KMT2AMEN1
SCHEMBL5734258 0.86 ABL1 (0.64) NR4A1ITGA4ITGB7KMT2AMEN1
SCHEMBL3757779 0.86 NR4A1 (0.64) NR4A1ITGA4ITGB7KMT2AMEN1
SCHEMBL3757780 0.86 NR4A1 (0.64) NR4A1ITGA4ITGB7KMT2AMEN1
SCHEMBL5734261 0.86 ABL1 (0.64) NR4A1ITGA4ITGB7KMT2AMEN1
SCHEMBL5735121 0.78 KMT2A (0.66) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL5735117 0.78 KMT2A (0.66) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL5735625 0.77 NR4A1 (0.76) NR4A1KMT2AMEN1POLBMAPT

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 11 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
EP-1399156-A2 ALKYLIDENE PIRAZOLIDINEDIONE DERIVATIVES AND THEIR USE FOR TREATING DIABETES AND OBESITY Applied Research Systems ARS Holding N.V. (AN) 2004-03-24 EP disclosed
WO-2002102359-A2 ALKYLIDENE PYRAZOLIDINEDIONE DERIVATIVES AND USE FOR TREATING DIABETES AND OBESITY APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2002-12-27 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 (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 4748/4885ITGA4 3010/4885ITGB7 1868/4885
US-20040220188-A1 Alkylidene pyrazolidinedione derivatives G6PC1, PPM1D, PTPRS NR4A1 2744/4885ITGA4 4401/4885ITGB7 4533/4885
US-20170349553-A1 SMALL- MOLECULE INHIBITORS TARGETING G-PROTEIN-COUPLED RHO GUANINE NUCLEOTIDE EXCHANGE FACTORS ARHGEF1, ARHGEF2, ARHGDIB NR4A1 4748/4885ITGA4 3010/4885ITGB7 1868/4885

“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.