SCHEMBL4464733

SCHEMBL4464733

COC(=O)c1cc2cc(OCc3ccccc3)ccc2n1C

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.81
L3MBTL1 Q9Y468 1/20 0.65
MEN1 O00255 1/20 0.64
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
KMT2A Q03164 1/20 0.64
SRD5A1 P18405 1/20 0.56
GALR3 O60755 1/20 0.55
GAA P10253 1/20 0.55
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 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
SCHEMBL30435990 0.91 SRD5A2 (0.68) SRD5A2L3MBTL1MEN1NPC1RAB9A
SCHEMBL7877973 0.91 SRD5A2 (0.68) SRD5A2L3MBTL1MEN1NPC1RAB9A
SCHEMBL4470968 0.90 SRD5A2 (1.00) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL8687408 0.89 SRD5A2 (0.76) SRD5A2L3MBTL1MEN1NPC1RAB9A
SCHEMBL4023414 0.88 SRD5A2 (0.78) SRD5A2L3MBTL1MEN1NPC1RAB9A
SCHEMBL6087478 0.88 SRD5A2 (0.81) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL5507380 0.85 SRD5A2 (0.78) SRD5A2L3MBTL1MEN1NPC1RAB9A
SCHEMBL5509218 0.82 SRD5A2 (0.73) SRD5A2L3MBTL1MEN1NPC1RAB9A
SCHEMBL5507214 0.82 SRD5A2 (0.71) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL24093799 0.81 SRD5A2 (0.57) SRD5A2MEN1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531668-B2 2-arylcarboxamide-nitrogenous heterocycle compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-05-12 US disclosed
US-20070299070-A1 2-Arylcarboxamide-Nitrogenous Heterocycle Compound MSD K.K. (JP) 2007-12-27 US disclosed
EP-1798221-A1 2-ARYLCARBOXAMIDE-NITROGENEOUS HETEROCYCLE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-06-20 EP 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-20070299070-A1 2-Arylcarboxamide-Nitrogenous Heterocycle Compound MCHR2, MCHR1, NPY2R SRD5A2 430/4885L3MBTL1 2581/4885MEN1 921/4885

“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.