SCHEMBL797979

SCHEMBL797979

CCn1cc(C=C[N+](=O)[O-])c2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.72
ALDH1A1 P00352 11/20 0.72
KMT2A Q03164 9/20 0.72
MEN1 O00255 8/20 0.72
NPSR1 Q6W5P4 7/20 0.72
HTT P42858 5/20 0.72
SMN1; SMN2 Q16637 5/20 0.72
HSP90AA1 P07900 2/20 0.72
ATM Q13315 2/20 0.72
CYP1A2 P05177 1/20 0.72
CYP3A4 P08684 1/20 0.72
CYP2D6 P10635 1/20 0.72
CYP2C9 P11712 1/20 0.72
CYP2C19 P33261 1/20 0.72
GAA P10253 1/20 0.69
ALOX12 P18054 2/20 0.67
LMNA P02545 6/20 0.67
RAB9A P51151 2/20 0.67
MAPK1 P28482 2/20 0.60
PKM P14618 2/20 0.60

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
SCHEMBL797978 1.00 MAPT (0.72) MAPTALDH1A1KMT2AMEN1NPSR1
SCHEMBL15471721 1.00 MAPT (0.72) MAPTALDH1A1KMT2AMEN1NPSR1
SCHEMBL31236298 1.00 MAPT (0.72) MAPTALDH1A1KMT2AMEN1NPSR1
SCHEMBL8986557 0.84 ALDH1A1 (1.00) MAPTALDH1A1KMT2AMEN1NPSR1
SCHEMBL8758840 0.84 ALDH1A1 (1.00) MAPTALDH1A1KMT2AMEN1NPSR1
SCHEMBL8758306 0.82 MAPT (0.67) MAPTALDH1A1KMT2AMEN1NPSR1
SCHEMBL8758274 0.82 ALDH1A1 (0.81) MAPTALDH1A1KMT2AMEN1NPSR1
SCHEMBL8986638 0.82 ALDH1A1 (0.81) MAPTALDH1A1KMT2AMEN1NPSR1
SCHEMBL8986590 0.82 MAPT (0.67) MAPTALDH1A1KMT2AMEN1NPSR1
SCHEMBL8986604 0.81 ALDH1A1 (1.00) MAPTALDH1A1KMT2AMEN1NPSR1

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 6 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
CN-103108871-B 17a-hydroxylase/c17,20-lyase inhibitors NOVARTIS AG 2014-09-10 CN 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

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 MAPT 3507/4885ALDH1A1 68/4885KMT2A 660/4885

“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.