SCHEMBL5620372

SCHEMBL5620372

NC1Cc2ccc([N+](=O)[O-])cc2C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PNMT P11086 9/20 0.55
ADRA2A P08913 7/20 0.55
ADRA2B P18089 3/20 0.55
ADRA2C P18825 3/20 0.55
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA14 Q9ULX7 1/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
TLR9 Q9NR96 1/20 0.51

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
SCHEMBL1948741 1.00 PNMT (0.55) PNMTADRA2AADRA2BADRA2CCA12
Hydrochloric Acid SCHEMBL1642104 0.98 PNMT (0.54) PNMTADRA2AADRA2BADRA2CCA12
Sulfuric Acid SCHEMBL1950566 0.92 CA1 (0.59) PNMTADRA2AADRA2BADRA2CCA12
SCHEMBL3442261 0.86 DRD2 (0.54) PNMTADRA2AADRA2BADRA2CMEN1
Hydrochloric Acid SCHEMBL8187018 0.85 DRD2 (0.53) PNMTADRA2AADRA2BADRA2CMEN1
SCHEMBL4551781 0.83 PNMT (0.57) PNMTADRA2AADRA2BADRA2C
SCHEMBL29370265 0.83 PNMT (0.57) PNMTADRA2AADRA2BADRA2C
SCHEMBL2728205 0.83 PNMT (0.57) PNMTADRA2AADRA2BADRA2C
SCHEMBL22271652 0.81 PNMT (0.55) PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL7558546 0.80 PNMT (0.54) PNMTADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179839-B2 Acylated indanyl amines and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-02-20 US claimed
WO-2014145512-A2 POTENT SMALL MOLECULE INHIBITORS OF AUTOPHAGY, AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-09-18 WO disclosed
WO-2014145512-A2 POTENT SMALL MOLECULE INHIBITORS OF AUTOPHAGY, AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-09-18 WO disclosed
CN-101326182-B 2-pyrimidinyl pyrazolopyridine ErbB kinase inhibitors SMITHKLINE BEECHAM CORP 2011-09-28 CN disclosed
CN-101784551-A bicycloaniline derivative BANYU PHARMA CO LTD 2010-07-21 CN disclosed
WO-2009105026-A1 COMPOUND (R) -N*6*-ETHYL-6, 7-DIHYDRO-5H-INDENO (5, 6- D) THIAZOLE-2, 6-DIAMINE AND THE USE AS ANTIPSYCHOTICS ASTRAZENECA AB (SE) 2009-08-27 WO disclosed
US-20090215841-A1 D2 Receptor Ligand-078 ASTRAZENECA AB (SE) 2009-08-27 US disclosed
CN-101326182-A 2-pyrimidinyl pyrazolopyridine ErbB kinase inhibitors SMITHKLINE BEECHAM CORP (US) 2008-12-17 CN disclosed
WO-1999052857-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1999-10-21 WO disclosed
US-5968954-A EXHIBIT SELECTIVE BINDING AFFINITY FOR 5-HYDROXYTRYPTAMINE RECEPTORS ADIR ET COMPAGNIE (FR) 1999-10-19 US disclosed
WO-1997006158-A1 BICYCLIC AMIDINE DERIVATIVES USEFUL IN THERAPY ASTRA AKTIEBOLAG (SE) 1997-02-20 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-20090215841-A1 D2 Receptor Ligand-078 TACR2, TACR1, GPR174 PNMT 1726/4885ADRA2A 97/4885ADRA2B 112/4885

“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.