SCHEMBL2721094

SCHEMBL2721094

NC(=O)c1n[nH]c2cccc([N+](=O)[O-])c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 3/20 0.44
▸ KDM4E B2RXH2 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ NOS2 P35228 2/20 0.42
▸ BLM P54132 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MAP2K4 P45985 2/20 0.40
▸ GPR35 Q9HC97 1/20 0.40
▸ CLK1 P49759 1/20 0.39
▸ KCNMA1 Q12791 3/20 0.39
▸ TTK P33981 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
SCHEMBL2721250 0.87 NOS1 (0.45) NOS1KDM4EMEN1CYP1A2CYP3A4
SCHEMBL837904 0.78 GAA (0.53) NOS1KDM4EMEN1CYP1A2CYP3A4
SCHEMBL1253994 0.76 NOS1 (0.50) NOS1KDM4EMEN1CYP1A2CYP3A4
SCHEMBL8877409 0.76 MAP2K4 (0.44) KDM4EMEN1CYP1A2CYP3A4MAPT
SCHEMBL1648452 0.76 MAP2K4 (0.44) NOS1KDM4EMAP2K4TTKSTAT3
SCHEMBL28775981 0.76 THRB (0.53) MEN1MAPTKMT2AALDH1A1MAPK1
SCHEMBL29732926 0.76 THRB (0.53) MEN1MAPTKMT2AALDH1A1MAPK1
Methyl Alcohol SCHEMBL27939963 0.76 NOS1 (0.46) NOS1KDM4EMEN1CYP1A2CYP3A4
SCHEMBL16252836 0.75 MAP2K4 (0.43) KDM4EMAP2K4TTKPARP1STAT3
SCHEMBL1172395 0.75 NOS1 (0.49) NOS1KDM4EMEN1CYP1A2CYP3A4

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 14 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-9365554-B2 Viral polymerase inhibitors AVIRAGEN THERAPEUTICS, INC. (US) 2016-06-14 — — US disclosed
US-9120775-B2 Viral polymerase inhibitors BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2015-09-01 — — US disclosed
US-20150175592-A1 Viral Polymerase Inhibitors BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2015-06-25 — — US disclosed
US-20150065445-A1 Viral Polymerase Inhibitors BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2015-03-05 — — US disclosed
US-8785478-B2 Viral polymerase inhibitors BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2014-07-22 — — 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
WO-2013152392-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-10-17 — — WO disclosed
US-20130274179-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 (5 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-20150175592-A1 Viral Polymerase Inhibitors POLR2E, POLM, POLR2H NOS1 662/4885KDM4E 4547/4885MEN1 4869/4885
US-20120142686-A1 VIRAL POLYMERASE INHIBITORS POLR2E, POLM, POLR2H NOS1 575/4885KDM4E 4521/4885MEN1 4868/4885
US-20150065445-A1 Viral Polymerase Inhibitors POLR2E, POLM, POLR2H NOS1 662/4885KDM4E 4547/4885MEN1 4869/4885
US-20130274218-A1 VIRAL POLYMERASE INHIBITORS POLR2E, POLM, POLR2H NOS1 662/4885KDM4E 4547/4885MEN1 4869/4885
US-20130274179-A1 VIRAL POLYMERASE INHIBITORS POLR2E, POLM, POLR2H NOS1 662/4885KDM4E 4547/4885MEN1 4869/4885

“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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