SCHEMBL2149116

SCHEMBL2149116

O=c1oc2c(Br)cc(Br)cc2n1CCCBr

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.39
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.34
NQO1 P15559 1/20 0.33
TSHR P16473 3/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GPR35 Q9HC97 2/20 0.31

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
SCHEMBL2149135 0.74 KMO (0.40) ALDH1A1NPSR1NPC1TSHRRAB9A
SCHEMBL31248706 0.74 MAOB (0.38) SIGMAR1ALDH1A1NQO1TSHRLMNA
SCHEMBL9715951 0.74 GPR35 (0.33) NPC1NQO1GPR35
SCHEMBL2149436 0.71 PPARG (0.37) ALDH1A1NPSR1NPC1TSHRRAB9A
SCHEMBL2149192 0.69 ALDH1A1 (0.45) ALDH1A1NPSR1TSHRUSP2HPGD
SCHEMBL2149764 0.69 ALDH1A1 (0.45) ALDH1A1NPSR1TSHRLMNAUSP2
SCHEMBL2150045 0.67 ALDH1A1 (0.78) ALDH1A1NPSR1TSHRLMNAMAPK1
SCHEMBL2149768 0.66 NPSR1 (0.42) ALDH1A1NPSR1TSHRUSP2HPGD
SCHEMBL13681614 0.66 ALDH1A1 (0.35) SIGMAR1ALDH1A1NPSR1NPC1TSHR
SCHEMBL13681635 0.65 KMO (0.40) SIGMAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432420-B1 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS ACADIA PHARM INC (US) 2011-07-13 EP disclosed
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-20080009520-A1 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS ACADIA PHARMACEUTICALS INC. (US) 2008-01-10 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-7273857-B2 Benzimidazolidinone derivatives as muscarinic agents ACADIA PHARMACEUTICALS INC. (US) 2007-09-25 US disclosed
US-20060258707-A1 Benzimidazolidinone derivatives as muscarinic agents KELLY NICHOLAS M 2006-11-16 US disclosed
US-20060205785-A1 Benzimidazolidinone derivatives as muscarinic agents KELLY NICHOLAS M 2006-09-14 US disclosed
US-20060199799-A1 Benzimidazolidinone derivatives as muscarinic agents KELLY NICHOLAS M 2006-09-07 US disclosed
US-7087593-B2 Benzimidazolidinone derivatives as muscarinic agents ACADIA PHARMACEUTICALS INC. (US) 2006-08-08 US disclosed
US-20060025402-A1 Benzimidazolidinone derivatives as muscarinic agents KELLY NICHOLAS M 2006-02-02 US disclosed
EP-1432420-A4 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS ACADIA PHARM INC (US) 2005-11-09 EP 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
EP-1432420-A2 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS Acadia Pharmaceuticals Inc. (US) 2004-06-30 EP disclosed
US-20040067931-A1 Benzimidazolidinone derivatives as muscarinic agents ACADIA PHARMACEUTICALS INC. 2004-04-08 US disclosed
US-20030100545-A1 Benzimidazolidinone derivatives as muscarinic agents ACADIA PHARMACEUTICALS, INC. 2003-05-29 US disclosed
WO-2003028650-A2 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS ACADIA PHARMACEUTICALS, INC. (US) 2003-04-10 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 (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-20080070948-A1 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS CHRM4, CHRM1, CHRM2 SIGMAR1 294/4885ALDH1A1 2473/4885NPSR1 238/4885
US-20030100545-A1 Benzimidazolidinone derivatives as muscarinic agents CHRM4, CHRM5, CHRM1 SIGMAR1 272/4885ALDH1A1 3046/4885NPSR1 291/4885
US-20060258707-A1 Benzimidazolidinone derivatives as muscarinic agents CHRM4, CHRM1, CHRM2 SIGMAR1 294/4885ALDH1A1 2473/4885NPSR1 238/4885
US-20100216840-A1 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS CHRM4, CHRM1, CHRM2 SIGMAR1 294/4885ALDH1A1 2473/4885NPSR1 238/4885
US-20060025402-A1 Benzimidazolidinone derivatives as muscarinic agents CHRM4, CHRM1, CHRM2 SIGMAR1 294/4885ALDH1A1 2473/4885NPSR1 238/4885
US-20080009520-A1 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS CHRM4, CHRM1, CHRM2 SIGMAR1 294/4885ALDH1A1 2473/4885NPSR1 238/4885
US-20040067931-A1 Benzimidazolidinone derivatives as muscarinic agents CHRM4, CHRM5, CHRM1 SIGMAR1 272/4885ALDH1A1 3046/4885NPSR1 291/4885
US-20060199799-A1 Benzimidazolidinone derivatives as muscarinic agents CHRM4, CHRM1, CHRM2 SIGMAR1 294/4885ALDH1A1 2473/4885NPSR1 238/4885
US-20060205785-A1 Benzimidazolidinone derivatives as muscarinic agents CHRM4, CHRM1, CHRM2 SIGMAR1 294/4885ALDH1A1 2473/4885NPSR1 238/4885

“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.