SCHEMBL3025170

SCHEMBL3025170

O=[N+]([O-])c1cccc2c1CCC2Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
GPR35 Q9HC97 2/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 4/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
S100A4 P26447 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
RECQL P46063 1/20 0.36
MCL1 Q07820 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL18339841 0.80 GPR35 (0.44) TDP1ALDH1A1MAPTKMT2AMEN1
SCHEMBL35212403 0.80 ACHE (0.43) TDP1ALDH1A1MAPTKMT2AMEN1
SCHEMBL35212357 0.80 GPR35 (0.44) TDP1ALDH1A1MAPTKMT2AMEN1
SCHEMBL7871363 0.80 ACHE (0.43) TDP1ALDH1A1MAPTKMT2AMEN1
SCHEMBL18658368 0.80 TDP1 (0.44) TDP1ALDH1A1MAPTKMT2AMEN1
SCHEMBL35212145 0.80 GPR35 (0.44) TDP1ALDH1A1MAPTKMT2AMEN1
SCHEMBL1573408 0.80 GPR35 (0.44) TDP1ALDH1A1MAPTKMT2AMEN1
SCHEMBL18339431 0.80 GPR35 (0.44) TDP1ALDH1A1MAPTKMT2AMEN1
SCHEMBL35212373 0.80 GPR35 (0.44) TDP1ALDH1A1MAPTKMT2AMEN1
SCHEMBL7220671 0.76 NR4A1 (0.41) TDP1ALDH1A1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005731-B2 Modulators of the retinoid-related orphan receptor gamma (ROR-gamma) for use in the treatment of autoimmune and inflammatory diseases GLAXO GROUP LIMITED (GB) 2018-06-26 US disclosed
US-10005731-B2 Modulators of the retinoid-related orphan receptor gamma (ROR-gamma) for use in the treatment of autoimmune and inflammatory diseases GLAXO GROUP LIMITED (GB) 2018-06-26 US disclosed
US-10005731-B2 Modulators of the retinoid-related orphan receptor gamma (ROR-gamma) for use in the treatment of autoimmune and inflammatory diseases GLAXO GROUP LIMITED (GB) 2018-06-26 US disclosed
EP-3219711-A1 MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR-GAMMA) FOR USE IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES Glaxo Group Limited (GB) 2017-09-20 EP disclosed
EP-3219711-A1 MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR-GAMMA) FOR USE IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES Glaxo Group Limited (GB) 2017-09-20 EP disclosed
EP-2928885-B1 MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR-GAMMA) FOR USE IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2017-03-22 EP disclosed
EP-2928885-B1 MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR-GAMMA) FOR USE IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2017-03-22 EP disclosed
CN-105121430-A Modulators of the retinoid-related orphan receptor gamma (ror-gamma) for use in the treatment of autoimmune and inflammatory diseases GLAXO GROUP LTD 2015-12-02 CN disclosed
US-20150299121-A1 MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR-GAMMA) FOR USE IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2015-10-22 US disclosed
US-20150299121-A1 MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR-GAMMA) FOR USE IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2015-10-22 US disclosed
US-20100210634-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-08-19 US disclosed
US-7718657-B2 Certain indanyl urea modulators of the cardiac sarcomere CYTOKINETICS, INC. (US) 2010-05-18 US disclosed
US-7718657-B2 Certain indanyl urea modulators of the cardiac sarcomere CYTOKINETICS, INC. (US) 2010-05-18 US disclosed
US-7718657-B2 Certain indanyl urea modulators of the cardiac sarcomere CYTOKINETICS, INC. (US) 2010-05-18 US disclosed
EP-1959962-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
US-20070197507-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US disclosed
US-20070197507-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US disclosed
US-20070197507-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US disclosed
WO-2007078815-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-07-12 WO disclosed
WO-2007078815-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-07-12 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-20150299121-A1 MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR-GAMMA) FOR USE IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES RORB, RORC, RORA TDP1 4569/4885ALDH1A1 1045/4885MAPT 3835/4885
US-20100210634-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, MYLK2 TDP1 3263/4885ALDH1A1 3619/4885MAPT 900/4885
US-10005731-B2 Modulators of the retinoid-related orphan receptor gamma (ROR-gamma) for use in the treatment of autoimmune and inflammatory diseases RORB, RORC, RORA TDP1 4569/4885ALDH1A1 1045/4885MAPT 3835/4885
US-20070197507-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 TDP1 3263/4885ALDH1A1 3619/4885MAPT 900/4885

“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.