SCHEMBL5736726

SCHEMBL5736726

O=C1NNC(=O)C1=C(c1ccc(I)cc1)c1ccc(C(=O)O)o1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.42
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
GSK3B P49841 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.30
HSP90AA1 P07900 1/20 0.30
RAB9A P51151 1/20 0.30
PHGDH O43175 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
SCHEMBL5735124 0.84 ALDH1A1 (0.50) ALDH1A1HPGDNPC1RAB9A
SCHEMBL5738247 0.81 TPMT (0.61) TPMTRXRARXRBCA1CA2
SCHEMBL5737432 0.79 CA1 (0.30) CA1CA2
SCHEMBL5737045 0.78 ALDH1A1 (0.40) TPMTPOLBALDH1A1HPGDMEN1
SCHEMBL5735481 0.76 SMN1; SMN2 (0.39) RXRARXRBTDP1POLBALDH1A1
SCHEMBL5734568 0.73 TPMT (0.46) TPMTCA1CA2POLBHPGD
SCHEMBL5737389 0.71 MEN1 (0.45) TPMTCA1CA2TDP1POLB
SCHEMBL5736196 0.70 TPMT (0.39) TPMTCA1CA2TDP1POLB
SCHEMBL5736466 0.70 TPMT (0.42) TPMTRXRARXRBCA1CA2
SCHEMBL5736741 0.70 ESR1 (0.44) TPMTCA1CA2TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 TPMT 3386/4885RXRA 3469/4885RXRB 3222/4885
US-20040220188-A1 Alkylidene pyrazolidinedione derivatives G6PC1, PPM1D, PTPRS TPMT 996/4885RXRA 4810/4885RXRB 4758/4885
US-20170349553-A1 SMALL- MOLECULE INHIBITORS TARGETING G-PROTEIN-COUPLED RHO GUANINE NUCLEOTIDE EXCHANGE FACTORS ARHGEF1, ARHGEF2, ARHGDIB TPMT 3386/4885RXRA 3469/4885RXRB 3222/4885

“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.