SCHEMBL5735481

SCHEMBL5735481

CC(=O)OCc1ccc(C(=C2C(=O)NNC2=O)c2ccc(I)cc2)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 4/20 0.35
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
POLB P06746 2/20 0.34
HSP90AA1 P07900 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 5/20 0.33
KDM4E B2RXH2 4/20 0.33
TSHR P16473 2/20 0.33
ABL1 P00519 1/20 0.33
GAA P10253 1/20 0.33
RIN1 Q13671 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
MAPT P10636 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL5736726 0.76 TPMT (0.42) HPGDALDH1A1NPC1RAB9APOLB
SCHEMBL19940614 0.70 ALDH1A1 (0.51) SMN1; SMN2HPGDALDH1A1NPC1RAB9A
SCHEMBL5737432 0.70 CA1 (0.30)
Acetyl Sumiki'S Acid SCHEMBL168107 0.69 NPC1 (0.58) SMN1; SMN2ALDH1A1NPC1RAB9APOLB
SCHEMBL7115522 0.69 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1RXRARXRB
SCHEMBL2541634 0.68 ALDH1A1 (0.60) SMN1; SMN2HPGDALDH1A1NPC1RAB9A
SCHEMBL15926026 0.68 ALDH1A1 (0.49) SMN1; SMN2HPGDALDH1A1NPC1RAB9A
SCHEMBL28244873 0.68 ALDH1A1 (0.49) SMN1; SMN2HPGDALDH1A1NPC1RAB9A
SCHEMBL5738120 0.68 ALDH1A1 (0.56) SMN1; SMN2HPGDALDH1A1NPC1RAB9A
SCHEMBL19002709 0.67 SMN1; SMN2 (0.67) SMN1; SMN2HPGDALDH1A1NPC1RAB9A

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 SMN1; SMN2 4167/4885HPGD 961/4885ALDH1A1 4636/4885
US-20040220188-A1 Alkylidene pyrazolidinedione derivatives G6PC1, PPM1D, PTPRS SMN1; SMN2 4862/4885HPGD 3057/4885ALDH1A1 721/4885
US-20170349553-A1 SMALL- MOLECULE INHIBITORS TARGETING G-PROTEIN-COUPLED RHO GUANINE NUCLEOTIDE EXCHANGE FACTORS ARHGEF1, ARHGEF2, ARHGDIB SMN1; SMN2 4167/4885HPGD 961/4885ALDH1A1 4636/4885

“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.