SCHEMBL10272935

SCHEMBL10272935

CCc1cccc(OCC(=O)NC)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
POLB P06746 2/20 0.61
KMT2A Q03164 5/20 0.60
HTT P42858 1/20 0.60
LMNA P02545 2/20 0.58
MEN1 O00255 2/20 0.58
MAPK1 P28482 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 3/20 0.50
PKM P14618 1/20 0.50
GAA P10253 2/20 0.49
ALDH1A1 P00352 1/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49

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
SCHEMBL10272509 0.88 KMT2A (0.57) SMN1; SMN2POLBKMT2AHTTLMNA
SCHEMBL21498994 0.86 KMT2A (0.59) SMN1; SMN2POLBKMT2AHTTLMNA
SCHEMBL22237406 0.86 KDM4E (0.62) SMN1; SMN2POLBKMT2ALMNAMEN1
SCHEMBL10223990 0.84 KMT2A (0.56) SMN1; SMN2POLBKMT2AHTTLMNA
SCHEMBL10272937 0.84 SMN1; SMN2 (0.58) SMN1; SMN2POLBKMT2ALMNAMEN1
SCHEMBL8171451 0.84 KMT2A (0.56) SMN1; SMN2POLBKMT2AHTTLMNA
SCHEMBL21103331 0.83 KMT2A (0.53) SMN1; SMN2POLBKMT2AHTTLMNA
SCHEMBL10174538 0.83 SMN1; SMN2 (0.56) SMN1; SMN2POLBKMT2ALMNAMEN1
SCHEMBL9122812 0.82 LMNA (0.55) SMN1; SMN2POLBKMT2ALMNAMEN1
SCHEMBL765937 0.82 PPARA (0.68) SMN1; SMN2POLBKMT2ALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954217-B2 Sigma receptor binders BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-03-23 US disclosed
US-20200115345-A1 COMPOUNDS AND METHODS FOR TREATING CANCER, NEUROLOGICAL DISORDERS, ETHANOL WITHDRAWAL, ANXIETY, DEPRESSION, AND NEUROPATHIC PAIN UNIV TEXAS (US) 2020-04-16 US disclosed
US-10556898-B2 Indazolyl-1,2,4-thiadiazolamines and related compounds for inhibition of Rho-associated protein kinase and the treatment of disease LYCERA CORPORATION (US) 2020-02-11 US disclosed
US-10450275-B2 Compounds and methods for treating cancer, neurological disorders, ethanol withdrawal, anxiety, depression, and neuropathic pain BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-10-22 US disclosed
US-20190276447-A1 INDAZOLYL-1,2,4-THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE LYCERA CORPORATION 2019-09-12 US disclosed
WO-2019154366-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏奥赛康药业有限公司 2019-08-15 WO disclosed
US-20190177301-A1 SIGMA RECEPTOR BINDERS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-06-13 US disclosed
WO-2017190109-A1 SIGMA RECEPTOR BINDERS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-11-02 WO disclosed
WO-2017190107-A1 SIGMA RECEPTOR BINDERS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-11-02 WO disclosed
US-20160280657-A1 COMPOUNDS AND METHODS FOR TREATING CANCER, NEUROLOGICAL DISORDERS, ETHANOL WITHDRAWAL, ANXIETY, DEPRESSION, AND NEUROPATHIC PAIN BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2016-09-29 US disclosed
US-20130029944-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-31 US disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 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 (9 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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT SMN1; SMN2 4547/4885POLB 1491/4885KMT2A 4058/4885
US-20130029944-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK2 SMN1; SMN2 4561/4885POLB 3849/4885KMT2A 1671/4885
US-20190276447-A1 INDAZOLYL-1,2,4-THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE ROCK1, ROCK2, TNK2 SMN1; SMN2 4283/4885POLB 4871/4885KMT2A 1854/4885
US-20200115345-A1 COMPOUNDS AND METHODS FOR TREATING CANCER, NEUROLOGICAL DISORDERS, ETHANOL WITHDRAWAL, ANXIETY, DEPRESSION, AND NEUROPATHIC PAIN ELAVL1, ADH1A, NGF SMN1; SMN2 102/4885POLB 2810/4885KMT2A 812/4885
US-10954217-B2 Sigma receptor binders SIGMAR1, OPRK1, OPRL1 SMN1; SMN2 512/4885POLB 1032/4885KMT2A 2607/4885
US-20190177301-A1 SIGMA RECEPTOR BINDERS SIGMAR1, OPRK1, OPRL1 SMN1; SMN2 512/4885POLB 1032/4885KMT2A 2607/4885
US-20160280657-A1 COMPOUNDS AND METHODS FOR TREATING CANCER, NEUROLOGICAL DISORDERS, ETHANOL WITHDRAWAL, ANXIETY, DEPRESSION, AND NEUROPATHIC PAIN ELAVL1, ADH1A, NGF SMN1; SMN2 102/4885POLB 2810/4885KMT2A 812/4885
US-10450275-B2 Compounds and methods for treating cancer, neurological disorders, ethanol withdrawal, anxiety, depression, and neuropathic pain ELAVL1, ADH1A, NGF SMN1; SMN2 102/4885POLB 2810/4885KMT2A 812/4885
US-10556898-B2 Indazolyl-1,2,4-thiadiazolamines and related compounds for inhibition of Rho-associated protein kinase and the treatment of disease ROCK1, ROCK2, TNK2 SMN1; SMN2 4283/4885POLB 4871/4885KMT2A 1854/4885

“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.