SCHEMBL363104

SCHEMBL363104

Cc1cc(Cl)ccc1[C@H](CC(=O)Cc1ccccn1)c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
CYP2D6 P10635 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
PMP22 Q01453 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.36
PTGFR P43088 2/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
GPR139 Q6DWJ6 1/20 0.36
PTPRA P18433 1/20 0.36
LMNA P02545 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL1390465 1.00 MAPT (0.41) MAPTCYP2D6KDM4ECYP1A2CYP3A4
SCHEMBL1390382 0.87 GPBAR1 (0.46) MAPTCYP2D6KDM4ECYP1A2CYP3A4
SCHEMBL1390383 0.87 GPBAR1 (0.46) MAPTCYP2D6KDM4ECYP1A2CYP3A4
SCHEMBL1389805 0.87 GPBAR1 (0.39) MAPTCYP2D6KDM4ECYP1A2CYP3A4
SCHEMBL1389806 0.87 GPBAR1 (0.39) MAPTCYP2D6KDM4ECYP1A2CYP3A4
SCHEMBL364485 0.87 GPBAR1 (0.39) MAPTCYP2D6KDM4ECYP1A2CYP3A4
SCHEMBL363436 0.79 KMT2A (0.47) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1390441 0.77 KMT2A (0.43) KDM4ECYP2C9CYP2C19KMT2APTGFR
SCHEMBL1390442 0.77 KMT2A (0.43) KDM4ECYP2C9CYP2C19KMT2APTGFR
SCHEMBL363250 0.75 KMT2A (0.46) KMT2AGPBAR1KCNH2

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 6 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
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 MAPT 4149/4885CYP2D6 948/4885KDM4E 4298/4885

“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.