SCHEMBL3027838

SCHEMBL3027838

C#CCn1c(=O)oc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.66
TSHR P16473 3/20 0.66
HPGD P15428 3/20 0.66
USP2 O75604 2/20 0.66
ALDH1A1 P00352 5/20 0.60
NPSR1 Q6W5P4 2/20 0.60
MIF P14174 1/20 0.58
LMNA P02545 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
IDO1 P14902 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 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
SCHEMBL4151771 0.84 MAPK1 (0.68) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL31236317 0.83 MAPK1 (0.66) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL17039271 0.80 MAPK1 (0.62) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL11394017 0.80 MEN1 (0.47) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL9364339 0.80 MAPK1 (0.62) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL536696 0.80 MAPK1 (0.62) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL9716003 0.78 IDO1 (0.64) IDO1
SCHEMBL22802595 0.78 TDP1 (0.49) HPGDALDH1A1MIFLMNAIDO1
SCHEMBL10504839 0.78 IDO1 (0.42) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL3049673 0.77 MAPK1 (0.72) MAPK1TSHRHPGDUSP2ALDH1A1

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
US-20100216840-A1 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS ACADIA PHARMACEUTICALS INC. (US) 2010-08-26 US disclosed
US-20080070948-A1 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS ACADIA PHARMACEUTICALS INC. (US) 2008-03-20 US disclosed
US-7300928-B2 Benzimidazolidinone derivatives as muscarinic agents ACADIA PHARMACEUTICALS, INC. (US) 2007-11-27 US disclosed
US-7291611-B2 Benzimidazolidinone derivatives as muscarinic agents ACADIA PHARMACEUTICALS INC. (US) 2007-11-06 US disclosed
US-20060199799-A1 Benzimidazolidinone derivatives as muscarinic agents KELLY NICHOLAS M 2006-09-07 US disclosed
US-20060025402-A1 Benzimidazolidinone derivatives as muscarinic agents KELLY NICHOLAS M 2006-02-02 US disclosed
US-6951849-B2 Benzimidazolidinone derivatives as muscarinic agents ACADIA PHARMACEUTICALS INC. (US) 2005-10-04 US disclosed
WO-2004089942-A2 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS ACADIA PHARMACEUTICALS INC. (US) 2004-10-21 WO disclosed
US-20040067931-A1 Benzimidazolidinone derivatives as muscarinic agents ACADIA PHARMACEUTICALS INC. 2004-04-08 US disclosed
EP-0320992-B1 Triazolodiazepine derivatives HOFFMANN LA ROCHE (CH) 1994-07-27 EP disclosed
EP-0427484-B1 Novel benzoxazolone compounds and the use thereof as microbicides ROHM & HAAS (US) 1994-07-20 EP disclosed
US-5102898-A Halosubstituted alkyne group; fungicides ROHM AND HAAS COMPANY (US) 1992-04-07 US disclosed
EP-0427484-A1 Novel benzoxazolone compounds and the use thereof as microbicides ROHM AND HAAS COMPANY (US) 1991-05-15 EP disclosed
US-4959361-A Triazolo(4,3-A)(1,4)benzodiazepines and thieno (3,2-F)(1,2,4)triazolo(4,3-A)(1,4)diazepine compounds which have useful activity as platelet activating factor (PAF) antagonists HOFFMANN-LA ROCHE INC. (US) 1990-09-25 US disclosed
EP-0320992-A2 Triazolodiazepine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1989-06-21 EP 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 (5 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-20080070948-A1 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS CHRM4, CHRM1, CHRM2 MAPK1 757/4885TSHR 137/4885HPGD 2819/4885
US-20100216840-A1 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS CHRM4, CHRM1, CHRM2 MAPK1 757/4885TSHR 137/4885HPGD 2819/4885
US-20060025402-A1 Benzimidazolidinone derivatives as muscarinic agents CHRM4, CHRM1, CHRM2 MAPK1 757/4885TSHR 137/4885HPGD 2819/4885
US-20040067931-A1 Benzimidazolidinone derivatives as muscarinic agents CHRM4, CHRM5, CHRM1 MAPK1 480/4885TSHR 187/4885HPGD 2776/4885
US-20060199799-A1 Benzimidazolidinone derivatives as muscarinic agents CHRM4, CHRM1, CHRM2 MAPK1 757/4885TSHR 137/4885HPGD 2819/4885

“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.