SCHEMBL2149302

SCHEMBL2149302

Cc1c(Cl)cc(C(=O)O)c(O)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 10/20 0.52
AKR1C1 Q04828 10/20 0.52
AKR1C4 P17516 2/20 0.52
AKR1C3 P42330 2/20 0.52
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
HMGB1 P09429 1/20 0.43
CXCL12 P48061 1/20 0.43
TTR P02766 1/20 0.42
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
CASP1 P29466 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL691741 0.84 AKR1C2 (0.52) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL8333633 0.83 CYP3A4 (0.44) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL7863941 0.83 MEN1 (0.44) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL4355965 0.82 NNMT (0.38) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL5961110 0.82 AKR1C2 (0.59) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL1513825 0.81 AKR1C2 (0.63) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL2891876 0.81 AKR1C2 (0.57) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL30632048 0.81 AKR1C2 (0.57) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL18339076 0.81 AKR1C2 (0.48) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL11343587 0.80 ALDH1A1 (0.40) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1

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 10 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-20080009520-A1 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS ACADIA PHARMACEUTICALS INC. (US) 2008-01-10 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-7087593-B2 Benzimidazolidinone derivatives as muscarinic agents ACADIA PHARMACEUTICALS INC. (US) 2006-08-08 US disclosed
EP-1432420-A4 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS ACADIA PHARM INC (US) 2005-11-09 EP disclosed
EP-1432420-A2 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS Acadia Pharmaceuticals Inc. (US) 2004-06-30 EP 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 (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-20030100545-A1 Benzimidazolidinone derivatives as muscarinic agents CHRM4, CHRM5, CHRM1 AKR1C2 4072/4885AKR1C1 3824/4885AKR1C4 3362/4885
US-20060258707-A1 Benzimidazolidinone derivatives as muscarinic agents CHRM4, CHRM1, CHRM2 AKR1C2 3524/4885AKR1C1 3125/4885AKR1C4 2546/4885
US-20080009520-A1 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS CHRM4, CHRM1, CHRM2 AKR1C2 3524/4885AKR1C1 3125/4885AKR1C4 2546/4885
US-20060205785-A1 Benzimidazolidinone derivatives as muscarinic agents CHRM4, CHRM1, CHRM2 AKR1C2 3524/4885AKR1C1 3125/4885AKR1C4 2546/4885

“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.