SCHEMBL1009407

SCHEMBL1009407

O=C(O)C1CCCN1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
SIGMAR1 Q99720 2/20 0.53
KDM4E B2RXH2 2/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
S1PR1 P21453 1/20 0.50
GRK5 P34947 1/20 0.50
CDK8 P49336 1/20 0.50
S1PR5 Q9H228 1/20 0.50
CYP1A2 P05177 1/20 0.49
PTGER4 P35408 2/20 0.48
KDM2B Q8NHM5 1/20 0.48
FAAH O00519 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL1817113 1.00 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2SIGMAR1KDM4EGAA
SCHEMBL17320112 1.00 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2SIGMAR1KDM4EGAA
SCHEMBL28107477 0.99 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2SIGMAR1KDM4EGAA
SCHEMBL28107109 0.89 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2SIGMAR1KDM4EGAA
SCHEMBL7314623 0.89 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2SIGMAR1KDM4EGAA
SCHEMBL27852999 0.86 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2SIGMAR1KDM4EGAA
SCHEMBL2032041 0.84 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2SIGMAR1KDM4ECYP1A2
SCHEMBL21618307 0.84 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2SIGMAR1KDM4ECYP1A2
SCHEMBL1818801 0.84 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2SIGMAR1KDM4ECYP1A2
SCHEMBL2029008 0.83 MAOA (0.60) ALDH1A1SMN1; SMN2SIGMAR1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268641-A2 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST Advinus Therapeutics Pvt. Ltd. (IN) 2011-01-05 EP claimed
US-20220087971-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO BACH BIOSCIENCES, LLC 2022-03-24 US disclosed
US-10174077-B2 Method of inhibiting activity of cell surface fibroblast activation protein alpha THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2019-01-08 US disclosed
US-10155789-B2 Substrates and inhibitors of prolyl oligopeptidase and methods of use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2018-12-18 US disclosed
US-20170260231-A1 Substrates and Inhibitors of Prolyl Oligopeptidase and Methods of Use Thereof UNIV OKLAHOMA (US) 2017-09-14 US disclosed
US-9688722-B2 Substrates and inhibitors of prolyl oligopeptidase and methods of use THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2017-06-27 US disclosed
US-20170066800-A1 Substrates and Inhibitors of Antiplasmin Cleaving Enzyme and Fibroblast Activation Protein and Methods of Use UNIV OKLAHOMA (US) 2017-03-09 US disclosed
US-9527884-B2 Substrates and inhibitors of antiplasmin cleaving enzyme and fibroblast activation protein and methods of use THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2016-12-27 US disclosed
US-20150141660-A1 Substrates and Inhibitors of Antiplasmin Cleaving Enzyme and Fibroblast Activation Protein and Methods of Use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-05-21 US disclosed
US-20150119330-A1 SUBSTRATES AND INHIBITORS OF PROLYL OLIGOPEPTIDASE AND FIBROBLAST ACTIVATION PROTEIN AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2015-04-30 US disclosed
US-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
WO-2009118759-A2 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS PVT. LTD., (IN) 2009-10-01 WO disclosed
CN-101512338-A Substrates and inhibitors of antiplasmin cleaving enzyme and methods of use thereof MCKEE PATRICK A (US) 2009-08-19 CN disclosed
EP-2038653-A2 SUBSTRATES AND INHIBITORS OF ANTIPLASMIN CLEAVING ENZYME AND METHODS OF USE McKee, Patrick A. (US) 2009-03-25 EP disclosed
US-20080057491-A1 Substrates and inhibitors of antiplasmin cleaving enzyme and methods of use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-03-06 US disclosed
CN-101123962-A Inducible nitric oxide synthase dimerization inhibitors KALYPSYS INC (US) 2008-02-13 CN disclosed
WO-2007146104-A2 SUBSTRATES AND INHIBITORS OF ANTIPLASMIN CLEAVING ENZYME AND METHODS OF USE MCKEE PATRICK A (US) 2007-12-21 WO disclosed
EP-1817030-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS Kalypsys, Inc. (US) 2007-08-15 EP disclosed
WO-2006060424-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS KALYPSYS, INC. (US) 2006-06-08 WO disclosed
US-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. 2006-06-01 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 (2 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-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors NOS3, NOS2, NOS1 ALDH1A1 2795/4885SMN1; SMN2 4446/4885SIGMAR1 1123/4885
US-20220087971-A1 FAP-ACTIVATED THERAPEUTIC AGENTS, AND USES RELATED THERETO FAP, FIBP, GOT1 ALDH1A1 749/4885SMN1; SMN2 3352/4885SIGMAR1 4687/4885

“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.