SCHEMBL13748713

SCHEMBL13748713

O=C(C(=O)c1cccnc1F)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.51
MET P08581 1/20 0.50
ALDH1A1 P00352 3/20 0.49
TP53 P04637 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 2/20 0.47
GAA P10253 1/20 0.47
NCOA1 Q15788 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
CTSD P07339 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL1039805 0.86 NAPRT (0.46) NAPRTMETALDH1A1KMT2AGAA
SCHEMBL10613860 0.82 ALDH1A1 (0.68) ALDH1A1KMT2AHTTGAANCOA1
SCHEMBL29508937 0.78 PDE10A (0.56) ALDH1A1KMT2AHTTGAANCOA1
SCHEMBL251800 0.78 PDE10A (0.56) ALDH1A1KMT2AHTTGAANCOA1
SCHEMBL9764926 0.75 ALDH1A1 (0.63) ALDH1A1KMT2AHTTGAANCOA1
SCHEMBL11903255 0.74 ALDH1A1 (0.54) METALDH1A1KMT2AHTTGAA
SCHEMBL1615014 0.74 CES2 (0.69) ALDH1A1KMT2AHTTGAACTSD
Alcohol SCHEMBL5873077 0.74 CTSD (0.59) ALDH1A1KMT2AHTTGAASMN1; SMN2
SCHEMBL15180828 0.73 ALDH1A1 (0.61) ALDH1A1KMT2AHTTGAANCOA1
SCHEMBL1694617 0.73 ALDH1A1 (0.61) ALDH1A1KMT2AHTTGAANCOA1

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-8835423-B2 Azepine inhibitors of janus kinases INCYTE CORPORATION (US) 2014-09-16 US disclosed
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2014-01-30 US disclosed
US-8563541-B2 Azepine inhibitors of Janus kinases INCYTE CORPORATION (US) 2013-10-22 US disclosed
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2012-12-27 US disclosed
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 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 (4 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-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 NAPRT 2465/4885MET 1571/4885ALDH1A1 3705/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 NAPRT 2465/4885MET 1571/4885ALDH1A1 3705/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 NAPRT 2465/4885MET 1571/4885ALDH1A1 3705/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 NAPRT 2465/4885MET 1571/4885ALDH1A1 3705/4885

“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.