SCHEMBL369641

SCHEMBL369641

COCCNC(=O)c1ccc(C(CC(=O)c2ccc(=O)n(C)c2)c2ccccc2Cl)cc1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
F9 P00740 1/20 0.38
CYP2C19 P33261 1/20 0.38
PKM P14618 1/20 0.37
HPGD P15428 2/20 0.37
BRD4 O60885 1/20 0.37
P2RX7 Q99572 3/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
IL1B P01584 1/20 0.36
MAPK1 P28482 1/20 0.36
HAT1 O14929 1/20 0.36
EP300 Q09472 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
DGAT2 Q96PD7 1/20 0.36

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
SCHEMBL369003 0.92 F9 (0.40) ALDH1A1F9PKMHPGDBRD4
SCHEMBL368842 0.91 ALDH1A1 (0.36) ALDH1A1F9CYP2C19HPGDBRD4
SCHEMBL368843 0.91 ALDH1A1 (0.36) ALDH1A1F9CYP2C19HPGDBRD4
SCHEMBL368841 0.91 ALDH1A1 (0.36) ALDH1A1F9CYP2C19HPGDBRD4
SCHEMBL369628 0.90 BRD4 (0.42) ALDH1A1F9PKMHPGDBRD4
SCHEMBL370596 0.88 CYP1A2 (0.40) ALDH1A1F9CYP2C19PKMBRD4
SCHEMBL370346 0.88 OPRD1 (0.38) F9PKMBRD4P2RX7NPC1
SCHEMBL370006 0.86 CYP2C9 (0.38) F9PKMBRD4NPC1RAB9A
SCHEMBL1390392 0.86 HPGD (0.39) PKMHPGDBRD4P2RX7EP300
SCHEMBL1390351 0.85 ACHE (0.36) HPGDBRD4

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 5 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 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 ALDH1A1 132/4885F9 4573/4885CYP2C19 1199/4885

“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.