SCHEMBL1121977

SCHEMBL1121977

O=C(O)N1CC=C(c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.71
TNFSF11 O14788 1/20 0.46
TNF P01375 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL1122356 0.89 SLC6A4 (0.65) SLC6A4TNFSF11TNFMAPT
SCHEMBL1228350 0.85 SLC6A4 (0.66) SLC6A4MAPT
SCHEMBL428829 0.83 SLC6A4 (1.00) SLC6A4
SCHEMBL28785245 0.82 SLC6A4 (0.70) SLC6A4
SCHEMBL1703585 0.82 SLC6A4 (0.67) SLC6A4MAPT
SCHEMBL1232327 0.82 SLC6A4 (0.50) SLC6A4MAPT
SCHEMBL3233304 0.82 SLC6A4 (0.67) SLC6A4MAPT
Maleic Acid SCHEMBL7864900 0.81 SLC6A4 (0.66) SLC6A4
Fumaric Acid SCHEMBL7864904 0.81 SLC6A4 (0.66) SLC6A4
Fumaric Acid SCHEMBL7864906 0.81 SLC6A4 (0.66) SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200039960-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2020-02-06 US disclosed
US-20190144429-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2019-05-16 US disclosed
EP-3428160-A1 HETEROBICYCLOARYL RORC2 INHIBITORS AND METHODS OF USE THEREOF Pfizer Inc (US) 2019-01-16 EP disclosed
US-20180282304-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2018-10-04 US disclosed
EP-3027603-B1 HETEROBICYCLOARYL RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER (US) 2018-07-18 EP disclosed
US-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2018-03-29 US disclosed
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2017-08-17 US disclosed
US-9580439-B2 Inhibitors of focal adhesion kinase THE SCRIPPS RESEARCH INSTITUTE (US) 2017-02-28 US disclosed
EP-3027603-A2 HETEROBICYCLOARYL RORC2 INHIBITORS AND METHODS OF USE THEREOF Pfizer Inc (US) 2016-06-08 EP disclosed
CN-105492434-A Heterobicycloaryl RORC2 inhibitors and methods of use thereof PFIZER 2016-04-13 CN disclosed
EP-1883451-B9 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2011-02-09 EP disclosed
EP-1883451-B1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC (CA) 2010-11-24 EP disclosed
EP-2134689-A2 INHIBITORS OF FOCAL ADHESION KINASE The Scripps Research Institute (US) 2009-12-23 EP disclosed
US-20080249302-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON INC. (CA) 2008-10-09 US disclosed
WO-2008115369-A2 INHIBITORS OF FOCAL ADHESION KINASE THE SCRIPPS RESEARCH INSTITUTE (US) 2008-09-25 WO disclosed
CN-101247853-A Substituted indole compounds having NOS inhibitory activity NEURAXON INC (CA) 2008-08-20 CN disclosed
US-7375219-B2 Substituted indole compounds having NOS inhibitory activity NEURAXON, INC. (CA) 2008-05-20 US disclosed
EP-1883451-A2 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY Neuraxon Inc. (CA) 2008-02-06 EP disclosed
WO-2007063418-A2 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2007-06-07 WO disclosed
US-20060258721-A1 Substituted indole compounds having NOS inhibitory activity NEURAXON INC. (CA) 2006-11-16 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 (7 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-20180282304-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA SLC6A4 4728/4885TNFSF11 1285/4885TNF 598/4885
US-20200039960-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA SLC6A4 4728/4885TNFSF11 1285/4885TNF 598/4885
US-20080249302-A1 SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS2, NOS1, NOS3 SLC6A4 215/4885TNFSF11 2679/4885TNF 1492/4885
US-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA SLC6A4 4728/4885TNFSF11 1285/4885TNF 598/4885
US-20060258721-A1 Substituted indole compounds having NOS inhibitory activity NOS2, NOS1, NOS3 SLC6A4 215/4885TNFSF11 2679/4885TNF 1492/4885
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA SLC6A4 4728/4885TNFSF11 1285/4885TNF 598/4885
US-20190144429-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA SLC6A4 4728/4885TNFSF11 1285/4885TNF 598/4885

“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.