SCHEMBL2807231

SCHEMBL2807231

N=C(N)CCc1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
DAO P14920 1/20 0.41
MPO P05164 3/20 0.39
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
MAOB P27338 1/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC6A4 P31645 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK8 P45983 1/20 0.38
FFAR1 O14842 2/20 0.37
FFAR4 Q5NUL3 2/20 0.37
CHRNA7 P36544 1/20 0.37
KCNH2 Q12809 2/20 0.36
DRD2 P14416 1/20 0.36
PDPK1 O15530 1/20 0.35

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 SCHEMBL4717980 0.98 IDO1 (0.49) IDO1AGXTDAOMPOHTR2A
SCHEMBL4846601 0.85 MPO (0.39) IDO1AGXTMPOHTR2ASLC6A4
Hydrochloric Acid SCHEMBL4714015 0.84 MPO (0.38) IDO1AGXTMPOSLC6A4MAPK8
SCHEMBL9160970 0.81 MPO (0.56) IDO1AGXTDAOMPOHTR2A
SCHEMBL1520484 0.81 IDO1 (0.50) IDO1AGXTDAOMPOMAOB
Hydrochloric Acid SCHEMBL8121254 0.79 IDO1 (0.52) IDO1AGXTMPOMAOBKDM4E
SCHEMBL31248033 0.79 MPO (0.37) IDO1AGXTMPOSLC6A4FFAR1
Hydrochloric Acid SCHEMBL4715092 0.78 IDO1 (0.54) IDO1MPOSLC6A4FFAR4
SCHEMBL9160653 0.78 MPO (0.59) IDO1AGXTDAOMPOHTR2A
SCHEMBL7700904 0.77 IDO1 (0.58) IDO1AGXTDAOHTR2AHTR2C

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 23 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
EP-2155225-A1 METHODS OF TREATMENT OF SKIN ULCERS The Trustees of the University of Pennsylvania (US) 2010-02-24 EP disclosed
WO-2008140449-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2008-11-20 WO disclosed
WO-2008140450-A1 METHODS OF TREATMENT AND PREVENTION OF METABOLIC BONE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2008-11-20 WO disclosed
WO-2008141176-A1 METHODS OF TREATMENT OF SKIN ULCERS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-11-20 WO disclosed
US-20080279846-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2008-11-13 US disclosed
US-20080280829-A1 METHODS OF TREATMENT AND PREVENTION OF METABOLIC BONE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2008-11-13 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
US-20080090851-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
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis ELLIOTT RICHARD L 2006-10-26 US 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 (10 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-20080280829-A1 METHODS OF TREATMENT AND PREVENTION OF METABOLIC BONE DISEASES AND DISORDERS ENPP2, PLA2G12A, PLA2G12B IDO1 1200/4885AGXT 210/4885DAO 1836/4885
US-20080279846-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS LPL, PLA2G1B, PLA2G2A IDO1 2407/4885AGXT 1177/4885DAO 2220/4885
US-20080090851-A1 Bicyclic Heteroaromatic Compounds CYP11B1, CYP46A1, CYP11B2 IDO1 604/4885AGXT 494/4885DAO 1811/4885
US-20150297597-A1 METHODS OF TREATMENT OF SKIN ULCERS PLA2G12A, PLA2G3, PLA2G4A IDO1 2476/4885AGXT 1684/4885DAO 1549/4885
US-20080090852-A1 Bicyclic Heteroaromatic Compounds CYP11B1, CYP46A1, CYP11B2 IDO1 642/4885AGXT 507/4885DAO 1894/4885
US-20130150379-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS LPL, PLA2G1B, PLA2G2A IDO1 2232/4885AGXT 1301/4885DAO 2318/4885
US-20100239565-A1 METHODS OF TREATMENT OF SKIN ULCERS PLA2G12A, PLA2G3, PLA2G4A IDO1 2476/4885AGXT 1684/4885DAO 1549/4885
US-20150183748-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS LPL, LPAR1, PLA2G1B IDO1 2160/4885AGXT 1022/4885DAO 2511/4885
US-20080103156-A1 Bicyclic Heteroaromatic Compounds CYP11B1, CYP46A1, CYP11B2 IDO1 604/4885AGXT 494/4885DAO 1811/4885
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis PLA2G7, PLA2G1B, PLA2G4B IDO1 647/4885AGXT 949/4885DAO 611/4885

“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.