SCHEMBL370596

SCHEMBL370596

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
PKM P14618 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
F9 P00740 1/20 0.36
BRD4 O60885 1/20 0.35
CTSA P10619 8/20 0.34
RORC P51449 1/20 0.34
ALDH1A1 P00352 3/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33

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
SCHEMBL370006 0.91 CYP2C9 (0.38) PKMF9BRD4RORCPOLB
SCHEMBL369641 0.88 ALDH1A1 (0.38) CYP2C19PKMF9BRD4ALDH1A1
SCHEMBL369628 0.88 BRD4 (0.42) PKMF9BRD4CTSAALDH1A1
SCHEMBL369003 0.86 F9 (0.40) PKMF9BRD4ALDH1A1POLB
SCHEMBL1390392 0.85 HPGD (0.39) PKMBRD4
SCHEMBL370346 0.85 OPRD1 (0.38) PKMF9BRD4CTSANPC1
SCHEMBL1390351 0.84 ACHE (0.36) CYP1A2BRD4
SCHEMBL1390352 0.84 ACHE (0.36) CYP1A2BRD4
SCHEMBL1389658 0.83 GPBAR1 (0.39) CYP1A2CYP2C19PKMF9CTSA
SCHEMBL1389657 0.83 GPBAR1 (0.39) CYP1A2CYP2C19PKMF9CTSA

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 CYP1A2 369/4885CYP2C19 1199/4885PKM 1994/4885

“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.