SCHEMBL15936931

SCHEMBL15936931

O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.72
SRC P12931 3/20 0.69
NR1H4 Q96RI1 7/20 0.67
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
ARHGEF12 Q9NZN5 1/20 0.66
JAK2 O60674 1/20 0.62
ZAP70 P43403 1/20 0.62
PPARG P37231 1/20 0.62
ABL1 P00519 2/20 0.61
SIRT1 Q96EB6 4/20 0.60
SIRT5 Q9NXA8 4/20 0.60
SIRT2 Q8IXJ6 3/20 0.60
SIRT3 Q9NTG7 1/20 0.59
HPGD P15428 1/20 0.54
PTPN1 P18031 1/20 0.54

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
SCHEMBL5453405 0.86 KMT2A (0.68) EGFRSRCNR1H4MEN1KMT2A
SCHEMBL5453408 0.86 KMT2A (0.68) EGFRSRCNR1H4MEN1KMT2A
SCHEMBL5444779 0.84 KMT2A (0.65) EGFRSRCNR1H4MEN1KMT2A
SCHEMBL5448904 0.84 KMT2A (0.65) EGFRSRCNR1H4MEN1KMT2A
SCHEMBL5448905 0.84 KMT2A (0.65) EGFRSRCNR1H4MEN1KMT2A
SCHEMBL5444775 0.84 KMT2A (0.65) EGFRSRCNR1H4MEN1KMT2A
SCHEMBL25138474 0.80 NR1H4 (1.00) EGFRSRCNR1H4MEN1KMT2A
SCHEMBL15936914 0.80 NR1H4 (1.00) EGFRSRCNR1H4MEN1KMT2A
SCHEMBL22523873 0.79 SIRT1 (0.74) NR1H4MEN1KMT2APPARGSIRT1
SCHEMBL15421780 0.77 PPARG (1.00) NR1H4MEN1KMT2APPARGSIRT1

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 4 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-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

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 EGFR 3095/4885SRC 726/4885NR1H4 1982/4885
US-20170349553-A1 SMALL- MOLECULE INHIBITORS TARGETING G-PROTEIN-COUPLED RHO GUANINE NUCLEOTIDE EXCHANGE FACTORS ARHGEF1, ARHGEF2, ARHGDIB EGFR 3095/4885SRC 726/4885NR1H4 1982/4885

“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.