SCHEMBL2723846

SCHEMBL2723846

N#Cc1n[nH]c2cccc([N+](=O)[O-])c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 3/20 0.45
▸ MAP2K1 Q02750 1/20 0.42
▸ MAPT P10636 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP1A2 P05177 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ NOS2 P35228 2/20 0.40
▸ BLM P54132 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.40
▸ TDP1 Q9NUW8 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ THRB P10828 1/20 0.39

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
SCHEMBL1253994 0.78 NOS1 (0.50) NOS1MAPTKDM4EALDH1A1CYP1A2
SCHEMBL1171722 0.76 NOS1 (0.50) NOS1MAPTKDM4EALDH1A1CYP1A2
SCHEMBL1172817 0.76 NOS1 (0.49) NOS1MAPTKDM4EALDH1A1CYP1A2
SCHEMBL1172797 0.76 NOS1 (0.49) NOS1MAPTKDM4EALDH1A1CYP1A2
SCHEMBL1172395 0.76 NOS1 (0.49) NOS1MAPTKDM4EALDH1A1CYP1A2
SCHEMBL9941730 0.76 NOS1 (0.49) NOS1MAPTKDM4EALDH1A1CYP1A2
SCHEMBL837904 0.76 GAA (0.53) NOS1MAP2K1MAPTKDM4EALDH1A1
SCHEMBL27174860 0.76 MAPT (0.47) NOS1MAPTKDM4EALDH1A1CYP1A2
SCHEMBL29009519 0.74 NOS1 (0.46) NOS1MAPTKDM4EALDH1A1CYP1A2
Methyl Alcohol SCHEMBL27939963 0.74 NOS1 (0.46) NOS1MAPTKDM4EALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447080-B2 Viral polymerase inhibitors BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2016-09-20 — — US disclosed
US-9120775-B2 Viral polymerase inhibitors BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2015-09-01 — — US disclosed
US-20150065445-A1 Viral Polymerase Inhibitors BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2015-03-05 — — US disclosed
WO-2013152391-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-10-17 — — WO disclosed
US-20130274218-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-10-17 — — US disclosed
US-8546389-B2 Viral polymerase inhibitors BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2013-10-01 — — US disclosed
EP-2630128-A1 VIRAL POLYMERASE INHIBITORS Biota Scientific Management Pty Ltd (AU) 2013-08-28 — — EP disclosed
US-20120142686-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD 2012-06-07 — — US disclosed
WO-2012051659-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-04-26 — — 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 (3 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-20120142686-A1 VIRAL POLYMERASE INHIBITORS POLR2E, POLM, POLR2H NOS1 575/4885MAP2K1 1921/4885MAPT 1446/4885
US-20150065445-A1 Viral Polymerase Inhibitors POLR2E, POLM, POLR2H NOS1 662/4885MAP2K1 2005/4885MAPT 1401/4885
US-20130274218-A1 VIRAL POLYMERASE INHIBITORS POLR2E, POLM, POLR2H NOS1 662/4885MAP2K1 2005/4885MAPT 1401/4885

“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.

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