SCHEMBL793495

SCHEMBL793495

C/C(=C\c1ccc(C(F)(F)F)cc1)[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 5/20 0.61
CYP1A2 P05177 2/20 0.58
MEN1 O00255 1/20 0.58
JAK2 O60674 1/20 0.58
MITF O75030 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
CYP3A4 P08684 1/20 0.58
MAPT P10636 1/20 0.58
CYP2C9 P11712 1/20 0.58
NTSR1 P30989 1/20 0.58
CYP2C19 P33261 1/20 0.58
KMT2A Q03164 1/20 0.58
ABL1 P00519 1/20 0.54
EGFR P00533 1/20 0.54
ABL2 P42684 1/20 0.54
PTGS1 P23219 4/20 0.49
PTGS2 P35354 2/20 0.49
NQO2 P16083 1/20 0.49
AKR1C3 P42330 1/20 0.43

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
SCHEMBL807778 1.00 FBP1 (0.61) FBP1CYP1A2MEN1JAK2MITF
SCHEMBL793496 1.00 FBP1 (0.61) FBP1CYP1A2MEN1JAK2MITF
SCHEMBL9294232 0.84 FBP1 (0.62) FBP1CYP1A2MEN1JAK2MITF
SCHEMBL9294227 0.84 FBP1 (0.62) FBP1CYP1A2MEN1JAK2MITF
SCHEMBL19012181 0.81 FBP1 (0.58) FBP1CYP1A2MEN1JAK2MITF
SCHEMBL29248015 0.81 FBP1 (0.54) FBP1CYP1A2PTGS1PTGS2NQO2
SCHEMBL29248013 0.81 FBP1 (0.54) FBP1CYP1A2PTGS1PTGS2NQO2
SCHEMBL107299 0.80 FBP1 (0.67) FBP1CYP1A2MEN1JAK2MITF
SCHEMBL107300 0.80 FBP1 (0.67) FBP1CYP1A2MEN1JAK2MITF
SCHEMBL107301 0.80 FBP1 (0.67) FBP1CYP1A2MEN1JAK2MITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
EP-2627648-A1 17aHYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2013-08-21 EP disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO 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-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 FBP1 2302/4885CYP1A2 49/4885MEN1 861/4885

“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.