SCHEMBL797444

SCHEMBL797444

COc1ccc(Cn2cc(C=C[N+](=O)[O-])c3ccccc32)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.75
MAPT P10636 9/20 0.75
NPSR1 Q6W5P4 6/20 0.75
HTT P42858 5/20 0.75
KMT2A Q03164 5/20 0.75
SMN1; SMN2 Q16637 5/20 0.75
MEN1 O00255 4/20 0.75
HSP90AA1 P07900 2/20 0.75
CYP1A2 P05177 1/20 0.75
CYP3A4 P08684 1/20 0.75
CYP2D6 P10635 1/20 0.75
CYP2C9 P11712 1/20 0.75
CYP2C19 P33261 1/20 0.75
ATM Q13315 1/20 0.75
ALOX12 P18054 1/20 0.74
LMNA P02545 4/20 0.72
PKM P14618 2/20 0.66
RAB9A P51151 1/20 0.63
POLB P06746 2/20 0.60
GAA P10253 1/20 0.58

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
SCHEMBL797443 1.00 ALDH1A1 (0.75) ALDH1A1MAPTNPSR1HTTKMT2A
SCHEMBL8758274 0.86 ALDH1A1 (0.81) ALDH1A1MAPTNPSR1HTTKMT2A
SCHEMBL8986638 0.86 ALDH1A1 (0.81) ALDH1A1MAPTNPSR1HTTKMT2A
SCHEMBL8758840 0.86 ALDH1A1 (1.00) ALDH1A1MAPTNPSR1HTTKMT2A
SCHEMBL8986557 0.86 ALDH1A1 (1.00) ALDH1A1MAPTNPSR1HTTKMT2A
SCHEMBL8758340 0.85 ALDH1A1 (1.00) ALDH1A1MAPTNPSR1HTTKMT2A
SCHEMBL8986604 0.85 ALDH1A1 (1.00) ALDH1A1MAPTNPSR1HTTKMT2A
SCHEMBL15471749 0.84 ALDH1A1 (0.81) ALDH1A1MAPTNPSR1HTTKMT2A
SCHEMBL797463 0.84 ALDH1A1 (0.69) ALDH1A1MAPTHTTKMT2ASMN1; SMN2
SCHEMBL20605312 0.81 MAPT (0.79) ALDH1A1MAPTNPSR1HTTKMT2A

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 ALDH1A1 68/4885MAPT 3507/4885NPSR1 2017/4885

“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.