SCHEMBL1121664

SCHEMBL1121664

Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 3/20 0.54
LMNA P02545 3/20 0.54
POLB P06746 1/20 0.54
PKM P14618 1/20 0.54
NPY1R P25929 1/20 0.54
NPY2R P49146 1/20 0.54
CA12 O43570 2/20 0.51
CA9 Q16790 2/20 0.51
HTR2A P28223 1/20 0.50
HTR6 P50406 1/20 0.50
CTSV O60911 2/20 0.49
CTSL P07711 2/20 0.49
PARP1 P09874 2/20 0.49
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GFER P55789 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL29958160 1.00 MAPT (0.54) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL29952690 0.88 PARP1 (0.51) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL1418923 0.88 PARP1 (0.51) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL14252828 0.85 MAPT (0.40) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL10173087 0.83 CA12 (0.53) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL13191146 0.83 CA12 (0.53) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL8506160 0.82 CA12 (0.51) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL15330815 0.81 CCNE1 (0.47) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL30312308 0.81 ALDH1A1 (0.68) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL4011471 0.81 ALDH1A1 (0.68) MAPTMEN1KMT2AALDH1A1LMNA

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367828-B2 PPAR active compounds PLEXXIKON INC. (US) 2013-02-05 US disclosed
CN-101253171-B Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives HOFFMANN LA ROCHE 2011-06-15 CN disclosed
EP-1924579-B1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-02-09 EP disclosed
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2010-08-19 US disclosed
US-7737173-B2 Indole-3-carboxylic acid amide, ester, thioamide and thiol ester compounds bearing aryl or heteroaryl groups having sphingosine-1-phosphate (S1P) receptor antagonist biological activity ALLERGAN, INC. (US) 2010-06-15 US disclosed
US-7737173-B2 Indole-3-carboxylic acid amide, ester, thioamide and thiol ester compounds bearing aryl or heteroaryl groups having sphingosine-1-phosphate (S1P) receptor antagonist biological activity ALLERGAN, INC. (US) 2010-06-15 US disclosed
US-7723374-B2 PPAR active compounds PLEXXIKON, INC. (US) 2010-05-25 US disclosed
EP-1575575-B1 SAFE CHEMICAL UNCOUPLERS FOR THE TREATMENT OF OBESITY HIGH POINT PHARMACEUTICALS LLC (US) 2010-05-19 EP disclosed
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed
US-7572806-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-08-11 US disclosed
US-20070010559-A1 Indole derivatives for use as chemical uncoupler NOVO NORDISK A/S (DK) 2007-01-11 US disclosed
EP-1689710-A1 INDOLE DERIVATIVES FOR USE AS CHEMICAL UNCOUPLER NOVO NORDISK A/S (DK) 2006-08-16 EP disclosed
WO-2006040526-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
EP-1575575-A2 SAFE CHEMICAL UNCOUPLERS FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2005-09-21 EP disclosed
WO-2005051908-A1 INDOLE DERIVATIVES FOR USE AS CHEMICAL UNCOUPLER NOVO NORDISK A/S (DK) 2005-06-09 WO disclosed
US-20050065173-A1 Compounds useful as promoters of SMN2 VERTEX PHARMACEUTICALS INCORPORATED 2005-03-24 US disclosed
WO-2004113305-A2 DIAMINO SUBSTITUTED QUINAZOLINE DERIVATIVES AS PROMOTERS OF SMN2 VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-12-29 WO disclosed
WO-2004113305-A2 DIAMINO SUBSTITUTED QUINAZOLINE DERIVATIVES AS PROMOTERS OF SMN2 VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-12-29 WO disclosed
US-20040138301-A1 Chemical uncouplers for the treatment of obesity HIGH POINT PHARMACEUTICALS, LLC 2004-07-15 US disclosed
WO-2004041256-A2 SAFE CHEMICAL UNCOUPLERS FOR THE TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-05-21 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 (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-20050065173-A1 Compounds useful as promoters of SMN2 SMN1; SMN2, NSUN2, MECP2 MAPT 1001/4885MEN1 3565/4885KMT2A 410/4885
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA MAPT 4598/4885MEN1 4795/4885KMT2A 3773/4885
US-20040138301-A1 Chemical uncouplers for the treatment of obesity PC, CPT2, IDH2 MAPT 2948/4885MEN1 3305/4885KMT2A 2494/4885
US-20070010559-A1 Indole derivatives for use as chemical uncoupler GPR119, IDO2, IDO1 MAPT 4316/4885MEN1 4192/4885KMT2A 1438/4885

“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.