SCHEMBL363642

SCHEMBL363642

Cc1ccccc1C(CC(=NO)c1ccnc2cc(Cl)ccc12)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 5/20 0.50
▸ MAPT P10636 4/20 0.38
▸ POLB P06746 4/20 0.38
▸ XBP1 P17861 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ PLA2G1B P04054 2/20 0.38
▸ ATG4B Q9Y4P1 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ OPRK1 P41145 2/20 0.37
▸ OPRM1 P35372 2/20 0.37

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
SCHEMBL1389734 1.00 GPBAR1 (0.50) GPBAR1MAPTPOLBXBP1LMNA
SCHEMBL1390363 1.00 GPBAR1 (0.50) GPBAR1MAPTPOLBXBP1LMNA
SCHEMBL15949731 0.88 GPBAR1 (0.40) GPBAR1MAPTPOLBXBP1LMNA
SCHEMBL364722 0.83 GPBAR1 (0.53) GPBAR1MAPTLMNAKMT2AUSP2
SCHEMBL10240919 0.83 GPBAR1 (0.53) GPBAR1MAPTLMNAKMT2AUSP2
SCHEMBL1389630 0.83 GPBAR1 (0.53) GPBAR1MAPTLMNAKMT2AUSP2
SCHEMBL10240928 0.83 GPBAR1 (0.53) GPBAR1MAPTLMNAKMT2AUSP2
SCHEMBL362878 0.83 GPBAR1 (0.53) GPBAR1MAPTLMNAKMT2AUSP2
SCHEMBL1389706 0.79 GPBAR1 (0.61) GPBAR1LMNA
SCHEMBL10241034 0.79 GPBAR1 (0.61) GPBAR1LMNA

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
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 — — EP claimed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 — — WO 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
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 — — EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 — — WO 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 1/4885MAPT 4149/4885POLB 2940/4885

“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.

Send feedback