SCHEMBL793301

SCHEMBL793301

O=[N+]([O-])C=Cc1ccc(Br)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 9/20 0.42
LMNA P02545 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
VCP P55072 1/20 0.41
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EGFR P00533 2/20 0.40
HSP90AA1 P07900 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
DUSP3 P51452 1/20 0.37

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
SCHEMBL793300 1.00 FBP1 (0.42) FBP1LMNACYP1A2CYP2C19ALDH1A1
SCHEMBL8138167 0.77 MAPT (0.53) FBP1LMNACYP1A2CYP2C19ALDH1A1
SCHEMBL1365397 0.77 FBP1 (0.48) FBP1LMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL8138170 0.77 MAPT (0.53) FBP1LMNACYP1A2CYP2C19ALDH1A1
SCHEMBL2075985 0.77 FBP1 (0.48) FBP1LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL2075986 0.77 FBP1 (0.48) FBP1LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL1365399 0.77 FBP1 (0.48) FBP1LMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL12018834 0.76 RAB9A (0.47) LMNAALDH1A1SMN1; SMN2NPC1MAPK1
SCHEMBL16785380 0.73 FBP1 (0.49) FBP1LMNAALDH1A1SMN1; SMN2MAPK1
SCHEMBL18106502 0.73 FBP1 (0.49) FBP1LMNAALDH1A1SMN1; SMN2MAPK1

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
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
CN-103108871-A 17a-hydroxylase/c17,20-lyase inhibitors NOVARTIS AG 2013-05-15 CN disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO disclosed
US-5034381-A Antagonist CIBA-GEIGY CORPORATION (US) 1991-07-23 US disclosed
EP-0323807-A2 Certain 2-substituted adenosine derivatives CIBA-GEIGY AG (CH) 1989-07-12 EP 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 2302/4885LMNA 3690/4885CYP1A2 49/4885

“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.