SCHEMBL17618257

SCHEMBL17618257

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 6/20 0.61
ARHGEF12 Q9NZN5 1/20 0.61
MAOB P27338 5/20 0.54
MAOA P21397 3/20 0.54
MMP13 P45452 1/20 0.48
ADAMTS5 Q9UNA0 1/20 0.48
ABL1 P00519 1/20 0.44
SRC P12931 1/20 0.44
MEN1 O00255 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KMT2A Q03164 3/20 0.43
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
CCND1 P24385 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
GPR18 Q14330 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43

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 0.76 NR1H4 (1.00) NR1H4ARHGEF12MAOBMAOAABL1
SCHEMBL15936914 0.76 NR1H4 (1.00) NR1H4ARHGEF12MAOBMAOAABL1
SCHEMBL12516122 0.71 MAOB (1.00) NR1H4ARHGEF12MAOBMAOANPC1
SCHEMBL13044232 0.71 MEN1 (0.76) NR1H4ARHGEF12MAOBMAOAMMP13
SCHEMBL10204868 0.69 MAOB (0.72) MAOBMAOA
SCHEMBL13848508 0.69 SIRT2 (0.75) NR1H4ARHGEF12MAOBMAOAMMP13
SCHEMBL19685492 0.69 NR1H4 (0.78) NR1H4ARHGEF12MAOBMAOAABL1
Hydrochloric Acid SCHEMBL23235850 0.68 MAOB (0.70) MAOBMAOA
Hydrochloric Acid SCHEMBL23235829 0.68 MAOB (0.70) MAOBMAOA
SCHEMBL15344203 0.68 MAOB (0.80) NR1H4MAOBMAOA

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 2 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 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

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

For each of this compound's patents that has machine-readable text (1 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 6/4885MAOB 2434/4885

“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.