SCHEMBL369003

SCHEMBL369003

Cn1cc(C(=O)CC(c2ccc(C(=O)NCCO)c(F)c2)c2ccccc2Cl)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.40
MAP2K2 P36507 2/20 0.39
MAP2K1 Q02750 2/20 0.39
PKM P14618 2/20 0.38
LMNA P02545 1/20 0.37
BRD4 O60885 2/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
ACSS2 Q9NR19 1/20 0.33
USP19 O94966 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
BCL3 P20749 1/20 0.33
CGAS Q8N884 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL369641 0.92 ALDH1A1 (0.38) F9PKMBRD4ALDH1A1HPGD
SCHEMBL369628 0.92 BRD4 (0.42) F9PKMBRD4ALDH1A1MAPT
SCHEMBL370834 0.90 F9 (0.38) F9MAP2K2MAP2K1PKMLMNA
SCHEMBL370346 0.89 OPRD1 (0.38) F9PKMBRD4MAPTP2RX7
SCHEMBL370006 0.88 CYP2C9 (0.38) F9PKMBRD4HTTMAPT
SCHEMBL1390392 0.88 HPGD (0.39) PKMBRD4HPGDMAPK14P2RX7
SCHEMBL370596 0.86 CYP1A2 (0.40) F9PKMLMNABRD4ALDH1A1
SCHEMBL368971 0.85 F9 (0.36) F9PKMBRD4
SCHEMBL1390395 0.85 BRD4 (0.41) PKMBRD4HPGDMAPK14P2RX7
SCHEMBL1390181 0.85 HPGD (0.37) F9PKMBRD4HPGDMAPK14

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 F9 4573/4885MAP2K2 4635/4885MAP2K1 4690/4885

“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.