SCHEMBL1389709

SCHEMBL1389709

Cc1cc(C(C[C@H](c2ccc(Br)cc2)c2ccc(Cl)cc2C)=NO)ccn1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 0.57
KMT2A Q03164 1/20 0.34
PROKR1 Q8TCW9 1/20 0.34
KCNH2 Q12809 2/20 0.32
PRCP P42785 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30

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
SCHEMBL1389702 1.00 GPBAR1 (0.57) GPBAR1KMT2APROKR1KCNH2PRCP
SCHEMBL1389700 1.00 GPBAR1 (0.57) GPBAR1KMT2APROKR1KCNH2PRCP
SCHEMBL365143 1.00 GPBAR1 (0.57) GPBAR1KMT2APROKR1KCNH2PRCP
SCHEMBL363424 1.00 GPBAR1 (0.57) GPBAR1KMT2APROKR1KCNH2PRCP
SCHEMBL1389708 1.00 GPBAR1 (0.57) GPBAR1KMT2APROKR1KCNH2PRCP
SCHEMBL10290855 0.92 GPBAR1 (0.59) GPBAR1KMT2APROKR1KCNH2KDM4C
SCHEMBL1389651 0.91 GPBAR1 (0.58) GPBAR1KMT2APROKR1KDM4CKDM5B
SCHEMBL363466 0.91 GPBAR1 (0.58) GPBAR1KMT2APROKR1KDM4CKDM5B
SCHEMBL364545 0.91 GPBAR1 (0.58) GPBAR1KMT2APROKR1KDM4CKDM5B
SCHEMBL1389653 0.91 GPBAR1 (0.58) GPBAR1KMT2APROKR1KDM4CKDM5B

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
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP claimed
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 GPBAR1 1/4885KMT2A 3981/4885PROKR1 242/4885

“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.