SCHEMBL5654790

SCHEMBL5654790

O=C=NCc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.51
PYCR1 P32322 1/20 0.50
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
KDR P35968 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
P2RX7 Q99572 3/20 0.39
ABCB11 O95342 1/20 0.38
FAAH O00519 1/20 0.38
MAOB P27338 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
NR3C1 P04150 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.37
PDK1 Q15118 1/20 0.37
KDM4A O75164 1/20 0.37
KDM5A P29375 1/20 0.37

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
SCHEMBL31286093 0.82 AR (0.45) P2RX7
SCHEMBL139341 0.79 MAPK1 (0.47) IDO1PYCR1
SCHEMBL30387398 0.79 MAPK1 (0.47) IDO1PYCR1
SCHEMBL4021438 0.79 KIF11 (0.45) P2RX7
SCHEMBL29170709 0.78 MAPK1 (0.36) PPARGPPARARAPGEF4
SCHEMBL460729 0.76 MAPK1 (0.36) IDO1PYCR1
SCHEMBL14465785 0.76 S1PR1 (0.37) PYCR1KDM4AKDM5AKDM5B
SCHEMBL29387410 0.76 MAPK1 (0.36) IDO1PYCR1
SCHEMBL120051 0.75 IDO1 (0.61) IDO1PYCR1HTR3EHTR3BHTR3A
SCHEMBL31731921 0.75 IDO1 (0.61) IDO1PYCR1HTR3EHTR3BHTR3A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2914575-B1 PLASMINOGEN ACTIVATOR-1 INHIBITORS AND METHODS OF USE THEREOF UNIV MICHIGAN REGENTS (US) 2020-10-14 EP disclosed
US-20170291893-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITORS AND METHODS OF USE THEREOF EASTERN MICHIGAN UNIVERSITY 2017-10-12 US disclosed
US-9718760-B2 Plasminogen activator inhibitor-1 inhibitors and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-08-01 US disclosed
US-20150315178-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITORS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-11-05 US disclosed
EP-2914575-A1 PLASMINOGEN ACTIVATOR-1 INHIBITORS AND METHODS OF USE THEREOF The Regents Of The University Of Michigan (US) 2015-09-09 EP disclosed
WO-2014070983-A1 PLASMINOGEN ACTIVATOR-1 INHIBITORS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-05-08 WO disclosed
US-7183411-B2 Naphthol, quinoline and isoquinoline-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-27 US disclosed
US-7183411-B2 Naphthol, quinoline and isoquinoline-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-27 US disclosed
US-7183411-B2 Naphthol, quinoline and isoquinoline-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-27 US disclosed
US-20040157865-A1 Naphthol, quinoline and isoquinoline-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, N.V. (BE) 2004-08-12 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 (3 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-20170291893-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITORS AND METHODS OF USE THEREOF SERPINE1, PLAT, SERPINC1 IDO1 1281/4885PYCR1 1742/4885HTR3E 3354/4885
US-20150315178-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITORS AND METHODS OF USE THEREOF SERPINE1, PLAT, SERPINC1 IDO1 1281/4885PYCR1 1742/4885HTR3E 3354/4885
US-20040157865-A1 Naphthol, quinoline and isoquinoline-derived urea modulators of vanilloid VR1 receptor OPRL1, VRK1, OPRK1 IDO1 1299/4885PYCR1 2760/4885HTR3E 891/4885

“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.