SCHEMBL3158236

SCHEMBL3158236

CCNS(=O)(=O)c1ccc(Br)s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 2/20 0.58
GALR3 O60755 1/20 0.58
HTT P42858 1/20 0.58
RAB9A P51151 1/20 0.58
MAPK1 P28482 1/20 0.56
TSHR P16473 2/20 0.54
GAA P10253 1/20 0.54
ALDH1A1 P00352 2/20 0.52
THRB P10828 1/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
RECQL P46063 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HPGD P15428 1/20 0.50

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
SCHEMBL29222827 0.86 SMN1; SMN2 (0.61) SMN1; SMN2LMNAGALR3HTTRAB9A
SCHEMBL27181533 0.81 SMN1; SMN2 (0.54) SMN1; SMN2LMNAGALR3HTTRAB9A
SCHEMBL2653003 0.81 SMN1; SMN2 (0.54) SMN1; SMN2LMNAGALR3HTTRAB9A
SCHEMBL1164041 0.80 SMN1; SMN2 (0.58) SMN1; SMN2LMNAGALR3HTTRAB9A
SCHEMBL1163936 0.79 SMN1; SMN2 (0.66) SMN1; SMN2LMNAGALR3HTTRAB9A
SCHEMBL1164483 0.79 SMN1; SMN2 (0.61) SMN1; SMN2LMNAGALR3HTTRAB9A
SCHEMBL1163831 0.79 THRB (0.56) SMN1; SMN2LMNAGALR3HTTRAB9A
SCHEMBL2982271 0.78 SMN1; SMN2 (0.54) SMN1; SMN2LMNAGALR3HTTRAB9A
SCHEMBL1163986 0.78 SMN1; SMN2 (0.57) SMN1; SMN2LMNAGALR3HTTRAB9A
SCHEMBL6323420 0.78 SMN1; SMN2 (0.51) SMN1; SMN2LMNAGALR3HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022129589-A9 ERAP INHIBITORS UNIVERSITE DE LILLE (FR) 2023-08-24 WO disclosed
EP-2681206-B1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2017-06-14 EP disclosed
US-9284303-B2 Benzimidazole cannabinoid agonists bearing a substituted heterocyclic group JANSSEN PHARMACEUTICA N.V. (BE) 2016-03-15 US disclosed
US-20140051681-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2014-02-20 US disclosed
EP-2681206-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2014-01-08 EP disclosed
US-20130324529-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP JANSSEN PHARMACEUTICA NV (BE) 2013-12-05 US disclosed
US-8524757-B2 Benzimidazole cannabinoid agonists bearing a substituted heterocyclic group JANSSEN PHARMACEUTICA NV (BE) 2013-09-03 US disclosed
US-8440652-B2 MST1 kinase inhibitors and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
WO-2012121992-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2012-09-13 WO disclosed
US-20120225857-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-09-06 US disclosed
EP-2081572-B1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP JANSSEN PHARMACEUTICA NV (BE) 2010-03-03 EP disclosed
CN-101621998-A Benzimidazole cannabinoid agonists bearing a substituted heterocyclic group JANSSEN PHARMACEUTICA NV 2010-01-06 CN disclosed
US-20090312339-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP JANSSEN PHARMACEUTICA NV (BE) 2009-12-17 US disclosed
EP-2081572-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP JANSSEN PHARMACEUTICA N.V. (BE) 2009-07-29 EP disclosed
WO-2008003665-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP JANSSEN PHARMACEUTICA NV (BE) 2008-01-10 WO 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 (4 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-20090312339-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP CNR1, CNR2, GPR18 SMN1; SMN2 3618/4885LMNA 3418/4885GALR3 279/4885
US-20140051681-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE MST1, STK10, STK3 SMN1; SMN2 1599/4885LMNA 2735/4885GALR3 3027/4885
US-20130324529-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP CNR1, CNR2, GPR18 SMN1; SMN2 3618/4885LMNA 3418/4885GALR3 279/4885
US-20120225857-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE MST1, STK10, STK3 SMN1; SMN2 1599/4885LMNA 2735/4885GALR3 3027/4885

“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.