SCHEMBL15936914

SCHEMBL15936914

Cc1cccc(COc2cccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 7/20 1.00
ARHGEF12 Q9NZN5 1/20 1.00
SRC P12931 2/20 0.68
ABL1 P00519 1/20 0.68
EGFR P00533 2/20 0.60
GSK3B P49841 1/20 0.60
GAA P10253 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
POLB P06746 4/20 0.54
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
JAK2 O60674 1/20 0.53
ZAP70 P43403 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
PKM P14618 1/20 0.53
HPGD P15428 1/20 0.53
ALOX12 P18054 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL25138474 1.00 NR1H4 (1.00) NR1H4ARHGEF12SRCABL1EGFR
SCHEMBL19685492 0.88 NR1H4 (0.78) NR1H4ARHGEF12SRCABL1EGFR
SCHEMBL12267471 0.84 KMT2A (0.74) NR1H4ARHGEF12SRCABL1EGFR
SCHEMBL196142 0.84 KMT2A (0.74) NR1H4ARHGEF12SRCABL1EGFR
SCHEMBL2398010 0.84 KMT2A (0.74) NR1H4ARHGEF12SRCABL1EGFR
SCHEMBL31060422 0.81 SRC (1.00) NR1H4ARHGEF12SRCABL1EGFR
SCHEMBL15936931 0.80 EGFR (0.72) NR1H4ARHGEF12SRCABL1EGFR
SCHEMBL17618257 0.76 NR1H4 (0.61) NR1H4ARHGEF12SRCABL1MEN1
SCHEMBL5445717 0.72 KMT2A (0.61) NR1H4ARHGEF12SRCEGFRGAA
SCHEMBL5445714 0.72 KMT2A (0.61) NR1H4ARHGEF12SRCEGFRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 NR1H4 1982/4885ARHGEF12 6/4885SRC 726/4885
US-20170349553-A1 SMALL- MOLECULE INHIBITORS TARGETING G-PROTEIN-COUPLED RHO GUANINE NUCLEOTIDE EXCHANGE FACTORS ARHGEF1, ARHGEF2, ARHGDIB NR1H4 1982/4885ARHGEF12 6/4885SRC 726/4885

“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.