SCHEMBL364075

SCHEMBL364075

COc1ccc(C(=O)CC(c2ccc(Br)cc2)c2ccc(F)cc2Cl)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
GPR183 P32249 3/20 0.38
NNMT P40261 1/20 0.37
CTSA P10619 3/20 0.37
OXTR P30559 2/20 0.37
MDM2 Q00987 1/20 0.37
AVPR1A P37288 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
EPHX2 P34913 1/20 0.36
CYP2J2 P51589 1/20 0.36
KCNH2 Q12809 1/20 0.36
P2RX7 Q99572 1/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL1390583 0.90 GPR183 (0.39) KMT2AGPR183NNMTCYP2C9CYP2C19
SCHEMBL1390365 0.89 GPR183 (0.39) KMT2AGPR183NNMTCTSAOXTR
SCHEMBL1390283 0.88 CTSA (0.44) KMT2AGPR183NNMTCTSAKCNH2
SCHEMBL1390445 0.87 GPR183 (0.37) KMT2AGPR183NNMTCYP2C9CYP2C19
SCHEMBL362682 0.86 KMT2A (0.44) KMT2AGPR183NNMTCTSAKCNH2
SCHEMBL1390485 0.83 KMT2A (0.45) KMT2AGPR183NNMTKCNH2MGAM
SCHEMBL362959 0.83 GPR183 (0.39) KMT2AGPR183NNMTCTSAKCNH2
SCHEMBL371297 0.82 MGAM (0.42) KMT2AGPR183NNMTOXTRKCNH2
SCHEMBL370366 0.79 CTSA (0.47) KMT2ANNMTCTSAOXTRMAOA
SCHEMBL1390215 0.79 CTSA (0.45) KMT2AGPR183NNMTCTSAKCNH2

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 KMT2A 3981/4885GPR183 80/4885NNMT 3132/4885

“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.