SCHEMBL3276469

SCHEMBL3276469

CC1=CCCc2ccc(F)cc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.43
PARP10 Q53GL7 1/20 0.43
TYMS P04818 2/20 0.40
ACHE P22303 1/20 0.40
KDM4C Q9H3R0 1/20 0.39
SRD5A1 P18405 1/20 0.38
METAP2 P50579 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP11B2 P19099 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
PGR P06401 2/20 0.34
NISCH Q9Y2I1 1/20 0.33
NPY5R Q15761 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
NOS3 P29474 1/20 0.32

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
SCHEMBL19273850 0.85 FFAR4 (0.43) SRD5A1METAP2FFAR4CYP3A4CYP11B2
SCHEMBL3279430 0.77 F7 (0.43) PARP1PARP10TYMSCYP11B2HTR2A
SCHEMBL9483990 0.77 PARP10 (0.43) PARP1PARP10TYMSHTR2AHTR2C
SCHEMBL24859370 0.77 PARP1 (0.40) PARP1PARP10TYMSACHEKDM4C
SCHEMBL11094766 0.74 MPO (0.53) ACHECYP11B2
SCHEMBL769025 0.73 PARP1 (0.40) PARP1PARP10TYMSACHEKDM4C
SCHEMBL2863832 0.72 MPO (0.32) PGR
SCHEMBL30656741 0.72 MAOA (0.50) PARP1PARP10TYMSACHESRD5A1
SCHEMBL1010472 0.72 MAOA (0.50) PARP1PARP10TYMSACHESRD5A1
SCHEMBL6002166 0.72 ALDH1A1 (0.45) PARP1PARP10

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3416969-B1 FUSED 1,4-OXAZEPINES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS UNIV MICHIGAN REGENTS (US) 2021-05-05 EP disclosed
WO-2017142881-A1 FUSED 1,4-OXAZEPINES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-08-24 WO disclosed
EP-1966134-B1 NOVEL FUSED PYRROLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
EP-1966134-A1 NOVEL FUSED PYRROLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP disclosed
WO-2007068621-A1 NOVEL FUSED PYRROLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 WO disclosed
US-20070142452-A1 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. 2007-06-21 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-20070142452-A1 Fused pyrrole derivatives CMA1, PREP, CPA3 PARP1 944/4885PARP10 1005/4885TYMS 1102/4885

“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.