SCHEMBL4700596

SCHEMBL4700596

COc1ccc(C(N=C=S)c2ccc(OC)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.64
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC2A1 P11166 1/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
ACHE P22303 1/20 0.38
ACP3 P15309 1/20 0.37
AOC3 Q16853 1/20 0.37

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
SCHEMBL11336262 0.93 MIF (0.57) MIFALDH1A1TDP1L3MBTL1ACP3
SCHEMBL3941261 0.84 MIF (0.49) MIFALDH1A1ACP3PBRM1
SCHEMBL18398873 0.82 MIF (0.62) MIFCA1CA2CA7CA9
SCHEMBL20422083 0.82 MIF (0.62) MIFCA1CA2CA7CA9
SCHEMBL11337328 0.79 MIF (0.50) MIFMAPK1TDP1TSHRL3MBTL1
SCHEMBL11345905 0.77 MIF (0.42) MIFALDH1A1TDP1ACHE
SCHEMBL11039259 0.73 MIF (0.51) MIFCA1CA2ALDH1A1SLC2A1
SCHEMBL16623262 0.72 CA1 (0.50) MIFCA1CA2CA7CA9
SCHEMBL11337603 0.72 MIF (0.39) MIFMAPK1TDP1TSHR
SCHEMBL11341923 0.72 MIF (0.38) MIFCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1330451-B1 SUBSTITUTED BENZIMIDAZOL-2-ONES AS VASOPRESSIN RECEPTOR ANTAGONISTS AND NEUROPEPTIDE Y MODULATORS ORTHO MCNEIL PHARM INC (US) 2008-01-23 EP disclosed
US-6653478-B2 Psychological disorders; hypotensive agents ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-25 US disclosed
EP-1330451-A2 SUBSTITUTED BENZIMIDAZOL-2-ONES AS VASOPRESSIN RECEPTOR ANTAGONISTS AND NEUROPEPTIDE Y MODULATORS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-07-30 EP disclosed
US-20030073842-A1 Novel substituted benzimidazol-2-ones as vasopressin receptor antagonists and neuropeptide Y modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-04-17 US disclosed
WO-2002055514-A2 SUBSTITUTED BENZIMIDAZOL-2-ONES AS VASOPRESSIN RECEPTOR ANTAGONISTS AND NEUROPEPTIDE Y MODULATORS ORTHO MCNEIL PHARM INC (US) 2002-07-18 WO disclosed
EP-0000952-B1 BENZHYDRYL GUANIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS McNeilab, Inc. (US) 1981-02-11 EP disclosed
US-4161541-A HYPOGLYCEMIC AGENTS MCNEIL LABORATORIES, INC. (US) 1979-07-17 US disclosed
EP-0000952-A1 Benzhydryl guanidine derivatives and pharmaceutical compositions McNeilab, Inc. (US) 1979-03-07 EP disclosed
US-4101659-A LOWERING BLOOD SUGAR MCNEIL LABORATORIES, INCORPORATED (US) 1978-07-18 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 (1 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-20030073842-A1 Novel substituted benzimidazol-2-ones as vasopressin receptor antagonists and neuropeptide Y modulators AVPR2, NPY1R, AVPR1B MIF 1570/4885CA1 2390/4885CA2 2785/4885

“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.