SCHEMBL369628

SCHEMBL369628

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.42
F9 P00740 1/20 0.39
PKM P14618 2/20 0.36
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.34
CREBBP Q92793 1/20 0.34
HPGD P15428 1/20 0.34
MET P08581 1/20 0.33
MAPT P10636 1/20 0.33
CTSA P10619 1/20 0.33
P2RX7 Q99572 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
SCHEMBL10290833 0.92 BRD4 (0.41) BRD4F9PKMALDH1A1RAB9A
SCHEMBL369003 0.92 F9 (0.40) BRD4F9PKMALDH1A1SMN1; SMN2
SCHEMBL370346 0.91 OPRD1 (0.38) BRD4F9PKMRAB9ANPC1
SCHEMBL1390102 0.90 BRD4 (0.40) BRD4F9PKMALDH1A1RAB9A
SCHEMBL369641 0.90 ALDH1A1 (0.38) BRD4F9PKMALDH1A1RAB9A
SCHEMBL369846 0.90 BRD4 (0.40) BRD4F9PKMALDH1A1RAB9A
SCHEMBL1390100 0.90 BRD4 (0.40) BRD4F9PKMALDH1A1RAB9A
SCHEMBL370006 0.89 CYP2C9 (0.38) BRD4F9PKMRAB9ANPC1
SCHEMBL370596 0.88 CYP1A2 (0.40) BRD4F9PKMALDH1A1RAB9A
SCHEMBL1390392 0.87 HPGD (0.39) BRD4PKMCREBBPHPGDP2RX7

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 disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
CN-103153945-A 1-oximino-3-phenyl-propanes HOFFMANN LA ROCHE 2013-06-12 CN 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 3540/4885F9 4573/4885PKM 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.