SCHEMBL369844

SCHEMBL369844

CN(CCO)C(=O)c1cccc(C(CC(=NO)c2ccc(=O)n(C)c2)c2ccc(Cl)cc2F)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.33
PIK3CB P42338 6/20 0.33
PIK3CA P42336 5/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GYS1 P13807 1/20 0.32
F9 P00740 1/20 0.31
DRD4 P21917 1/20 0.31
OPRD1 P41143 1/20 0.31
KCNH2 Q12809 1/20 0.31
CREBBP Q92793 1/20 0.31
CXCR3 P49682 1/20 0.31
PDK2 Q15119 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL369843 1.00 BRD4 (0.33) BRD4PIK3CBPIK3CANPC1RAB9A
SCHEMBL369842 1.00 BRD4 (0.33) BRD4PIK3CBPIK3CANPC1RAB9A
SCHEMBL368926 0.91 BRD4 (0.35) BRD4PIK3CBPIK3CANPC1RAB9A
SCHEMBL368825 0.85 CREBBP (0.35) BRD4F9CREBBPCYP1A2CYP2D6
SCHEMBL368826 0.85 CREBBP (0.35) BRD4F9CREBBPCYP1A2CYP2D6
SCHEMBL368824 0.85 CREBBP (0.35) BRD4F9CREBBPCYP1A2CYP2D6
SCHEMBL362423 0.82 BRD4 (0.35) BRD4PIK3CBPIK3CAGYS1LMNA
SCHEMBL368191 0.81 CREBBP (0.40) BRD4NPC1RAB9ACREBBP
SCHEMBL368193 0.81 CREBBP (0.40) BRD4NPC1RAB9ACREBBP
SCHEMBL368192 0.81 CREBBP (0.40) BRD4NPC1RAB9ACREBBP

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 BRD4 3540/4885PIK3CB 3920/4885PIK3CA 3822/4885

“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.