SCHEMBL2129889

SCHEMBL2129889

COc1ccc([N+](=O)[O-])c(C(F)(F)F)n1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 18/20 0.52
S1PR4 O95977 2/20 0.49
MAPT P10636 2/20 0.49
S1PR1 P21453 2/20 0.49
MAPK1 P28482 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
RAB9A P51151 1/20 0.49
GFER P55789 1/20 0.49
PAX8 Q06710 1/20 0.49
JAK2 O60674 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HTT P42858 1/20 0.48
GSR P00390 2/20 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
SCHEMBL30660336 0.80 TXNRD1 (0.49) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL27175931 0.80 TXNRD1 (0.62) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL30660395 0.79 TXNRD1 (0.51) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL19284509 0.79 TXNRD1 (0.48) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL2033509 0.78 ALDH1A1 (0.38) TXNRD1MAPTMAPK1NPSR1HTT
SCHEMBL14938586 0.78 CTSB (0.47) TXNRD1S1PR4MAPTMAPK1
SCHEMBL10740434 0.76 TXNRD1 (0.58) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL1428159 0.76 TXNRD1 (0.58) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL1848090 0.76 TXNRD1 (0.58) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL29830024 0.76 TXNRD1 (0.58) TXNRD1S1PR4MAPTS1PR1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2776445-B1 THERAPEUTICALLY ACTIVE THIAZOLO-PYRIMIDINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2016-08-10 EP disclosed
US-9096614-B2 Therapeutically active thiazolo-pyrimidine derivatives UCB PHARMA SA (BE) 2015-08-04 US disclosed
US-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives UCB PHARMA SA (BE) 2014-10-23 US disclosed
EP-2776445-A1 THERAPEUTICALLY ACTIVE THIAZOLO-PYRIMIDINE DERIVATIVES UCB Pharma, S.A. (BE) 2014-09-17 EP disclosed
WO-2013068458-A1 THERAPEUTICALLY ACTIVE THIAZOLO-PYRIMIDINE DERIVATIVES UCB PHARMA S.A. (BE) 2013-05-16 WO disclosed
EP-2084147-B1 HETEROCYCLIC FXR BINDING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2012-04-25 EP disclosed
US-20100184809-A1 Heterocyclic FXR Binding Compounds PHENEX PHARMACEUTICALS AG (DE) 2010-07-22 US disclosed
WO-2009149795-A2 HETEROCYCLIC CYCLOPROPYL-SUBSTITUTED FXR BINDING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2009-12-17 WO disclosed
EP-2128158-A1 Heterocyclic cyclopropyl-substituted FXR binding compounds Phenex Pharmaceuticals AG (DE) 2009-12-02 EP disclosed
EP-2084147-A1 HETEROCYCLIC FXR BINDING COMPOUNDS Phenex Pharmaceuticals AG (DE) 2009-08-05 EP disclosed
US-7250418-B2 Compounds as CRF1 receptor antagonists PFIZER INC (US) 2007-07-31 US disclosed
US-7250418-B2 Compounds as CRF1 receptor antagonists PFIZER INC (US) 2007-07-31 US disclosed
US-7250418-B2 Compounds as CRF1 receptor antagonists PFIZER INC (US) 2007-07-31 US disclosed
EP-1583531-B1 HETEROARYL-SUBSTITUTED PYRROLO[2, 3- B]PYRIDINE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS SB PHARMCO INC (US) 2007-04-18 EP disclosed
US-20070066640-A1 Heteroaryl-substituted pyrrolo'2,3-b1 pyridine derivatives as crf receptor antagonists SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2007-03-22 US disclosed
EP-1625125-A1 COMPOUNDS AS CRF1 RECEPTOR ANTAGONISTS Pharmacia & Upjohn Company LLC (US) 2006-02-15 EP disclosed
EP-1583531-A1 HETEROARYL- SUBSTITUTED PYRROLO' 2, 3- B! PYRIDINE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS SB Pharmco Puerto Rico Inc (US) 2005-10-12 EP disclosed
US-20050038040-A1 Compounds as CRF1 receptor antagonists PFIZER INC 2005-02-17 US disclosed
WO-2004099201-A1 COMPOUNDS AS CRF1 RECEPTOR ANTAGONISTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-11-18 WO disclosed
WO-2004062665-A1 HETEROARYL- SUBSTITUTED PYRROLO` 2, 3- B! PYRIDINE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS SB PHARMCO PUERTO RICO INC (US) 2004-07-29 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-20070066640-A1 Heteroaryl-substituted pyrrolo'2,3-b1 pyridine derivatives as crf receptor antagonists CRHR1, CRHR2, CRH TXNRD1 2598/4885S1PR4 1233/4885MAPT 3698/4885
US-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives TPMT, IFNG, IRF3 TXNRD1 350/4885S1PR4 3527/4885MAPT 2357/4885
US-20050038040-A1 Compounds as CRF1 receptor antagonists CRHR1, CRHR2, CRH TXNRD1 1030/4885S1PR4 455/4885MAPT 3507/4885
US-20100184809-A1 Heterocyclic FXR Binding Compounds NR1H4, NR1H2, NR1H3 TXNRD1 853/4885S1PR4 474/4885MAPT 3653/4885

“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.