SCHEMBL2803766

SCHEMBL2803766

N#Cc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.57
SCN5A Q14524 3/20 0.56
TRPA1 O75762 1/20 0.56
SCN9A Q15858 1/20 0.56
MMP3 P08254 2/20 0.47
KDM1A O60341 1/20 0.46
MAOB P27338 1/20 0.46
PTPN5 P54829 1/20 0.46
MMP2 P08253 2/20 0.45
NISCH Q9Y2I1 1/20 0.45
EPHX2 P34913 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44

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
Hydrochloric Acid SCHEMBL4599674 0.98 KIF11 (0.55) KIF11SCN5ATRPA1SCN9AMMP3
SCHEMBL201174 0.94 TRPA1 (0.53) KIF11SCN5ATRPA1SCN9AKDM1A
SCHEMBL921865 0.88 TRPA1 (0.49) KIF11SCN5ATRPA1SCN9AKDM1A
SCHEMBL10435232 0.85 MAOB (0.48) KIF11SCN5ATRPA1SCN9AKDM1A
SCHEMBL3464539 0.83 TRPA1 (0.46) KIF11SCN5ATRPA1SCN9AKDM1A
SCHEMBL3464533 0.83 TRPA1 (0.46) KIF11SCN5ATRPA1SCN9AKDM1A
SCHEMBL31739243 0.83 CYP2A6 (0.47) SCN5ATRPA1SCN9AKDM1AMAOB
SCHEMBL5470709 0.83 DHODH (0.52) SCN5ATRPA1SCN9AEPHX2MEN1
SCHEMBL12296289 0.83 PTPN5 (0.54) KIF11SCN5ATRPA1SCN9APTPN5
SCHEMBL489332 0.80 ENPP2 (0.63) KIF11SCN5ATRPA1SCN9AKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2977452-A2 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2016-01-27 EP disclosed
US-20150297597-A1 METHODS OF TREATMENT OF SKIN ULCERS UNIV PENNSYLVANIA (US) 2015-10-22 US disclosed
EP-2155225-B1 METHODS OF TREATMENT OF SKIN ULCERS UNIV PENNSYLVANIA (US) 2015-07-08 EP disclosed
US-20150183748-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY 2015-07-02 US disclosed
US-9029383-B2 Methods of treatment of skin ulcers THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-05-12 US disclosed
EP-2152865-B1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS UNIV JEFFERSON (US) 2015-04-15 EP disclosed
US-8962633-B2 Methods of treatment and prevention of metabolic bone diseases and disorders THOMAS JEFFERSON UNIVERSITY (US) 2015-02-24 US disclosed
US-20130150379-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2013-06-13 US disclosed
US-20100239565-A1 METHODS OF TREATMENT OF SKIN ULCERS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-09-23 US disclosed
US-7705005-B2 Bicyclic heteroaromatic compounds GLAXO GROUP LIMITED (GB) 2010-04-27 US disclosed
US-20080103156-A1 Bicyclic Heteroaromatic Compounds GLAXO GROUP LIMITED (GB) 2008-05-01 US disclosed
WO-2008048867-A2 BICYCLIC HETEROAROMATIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-24 WO disclosed
WO-2008048866-A2 BICYCLIC HETEROAROMATIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-24 WO disclosed
US-20080090851-A1 Bicyclic Heteroaromatic Compounds GLAXO GROUP LIMITED (GB) 2008-04-17 US disclosed
US-20080090853-A1 Bicyclic Heteroaromatic Compounds GLAXO GROUP LIMITED (GB) 2008-04-17 US disclosed
US-20080090852-A1 Bicyclic Heteroaromatic Compounds GLAXO GROUP LIMITED (GB) 2008-04-17 US disclosed
EP-0648752-B1 TRIAZOLE DERIVATIVE, INSECTICIDAL/ACARICIDAL AGENT, AND PROCESS FOR PRODUCING THE SAME KUMIAI CHEMICAL INDUSTRY CO (JP) 1999-10-06 EP disclosed
US-5700824-A Triazole derivatives, insecticide, acaricide and methods thereof KUMIAI CHEMICAL INDUSTRIAL CO. LTD. (JP) 1997-12-23 US disclosed
US-5616594-A Triazole derivatives, insecticide, acaricide and methods thereof IHARA CHEMICAL INDUSTRY CO. LTD. (JP) 1997-04-01 US disclosed
EP-0648752-A1 TRIAZOLE DERIVATIVE, INSECTICIDAL/ACARICIDAL AGENT, AND PROCESS FOR PRODUCING THE SAME KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP 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 (8 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-20080090851-A1 Bicyclic Heteroaromatic Compounds CYP11B1, CYP46A1, CYP11B2 KIF11 4726/4885SCN5A 2952/4885TRPA1 756/4885
US-20150297597-A1 METHODS OF TREATMENT OF SKIN ULCERS PLA2G12A, PLA2G3, PLA2G4A KIF11 4706/4885SCN5A 3172/4885TRPA1 1558/4885
US-20080090852-A1 Bicyclic Heteroaromatic Compounds CYP11B1, CYP46A1, CYP11B2 KIF11 4716/4885SCN5A 2898/4885TRPA1 785/4885
US-20130150379-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS LPL, PLA2G1B, PLA2G2A KIF11 2751/4885SCN5A 3672/4885TRPA1 2471/4885
US-20100239565-A1 METHODS OF TREATMENT OF SKIN ULCERS PLA2G12A, PLA2G3, PLA2G4A KIF11 4706/4885SCN5A 3172/4885TRPA1 1558/4885
US-20080090853-A1 Bicyclic Heteroaromatic Compounds GPR6, CNR1, NR3C1 KIF11 2538/4885SCN5A 1604/4885TRPA1 1076/4885
US-20150183748-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS LPL, LPAR1, PLA2G1B KIF11 2768/4885SCN5A 4115/4885TRPA1 2558/4885
US-20080103156-A1 Bicyclic Heteroaromatic Compounds CYP11B1, CYP46A1, CYP11B2 KIF11 4726/4885SCN5A 2952/4885TRPA1 756/4885

“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.