SCHEMBL368841

SCHEMBL368841

COCCNC(=O)c1ccc(C(C/C(=N\O)c2ccc(=O)n(C)c2)c2ccccc2Cl)cc1F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
F9 P00740 1/20 0.36
P2RX7 Q99572 3/20 0.35
BRD4 O60885 1/20 0.35
IL1B P01584 1/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HAT1 O14929 2/20 0.34
EP300 Q09472 2/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
DGAT2 Q96PD7 1/20 0.34

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
SCHEMBL368842 1.00 ALDH1A1 (0.36) ALDH1A1F9P2RX7BRD4IL1B
SCHEMBL368843 1.00 ALDH1A1 (0.36) ALDH1A1F9P2RX7BRD4IL1B
SCHEMBL370834 0.92 F9 (0.38) ALDH1A1F9BRD4HPGD
SCHEMBL1390102 0.91 BRD4 (0.40) ALDH1A1F9BRD4HPGDNPC1
SCHEMBL369846 0.91 BRD4 (0.40) ALDH1A1F9BRD4HPGDNPC1
SCHEMBL369641 0.91 ALDH1A1 (0.38) ALDH1A1F9P2RX7BRD4IL1B
SCHEMBL1390100 0.91 BRD4 (0.40) ALDH1A1F9BRD4HPGDNPC1
SCHEMBL15949040 0.89 BRD4 (0.36) ALDH1A1F9BRD4HPGDCYP2C19
SCHEMBL15949041 0.89 BRD4 (0.36) ALDH1A1F9BRD4HPGDCYP2C19
SCHEMBL15949037 0.89 BRD4 (0.36) ALDH1A1F9BRD4HPGDCYP2C19

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 9 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
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-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
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 4573/4885P2RX7 248/4885

“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.