SCHEMBL955933

SCHEMBL955933

Cc1ccc(C(C)N=C=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.41
MIF P14174 2/20 0.41
ACHE P22303 3/20 0.36
ALOX5 P09917 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
HSD11B1 P28845 1/20 0.35
HPGD P15428 1/20 0.33
STAT3 P40763 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 1/20 0.32
GRIA4 P48058 1/20 0.32
CNR2 P34972 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN2A Q99250 1/20 0.31
FFAR1 O14842 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 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
SCHEMBL13799939 1.00 CHRNA7 (0.41) CHRNA7MIFACHEALOX5TDP1
SCHEMBL955932 1.00 CHRNA7 (0.41) CHRNA7MIFACHEALOX5TDP1
SCHEMBL443529 0.91 MIF (0.46) MIF
SCHEMBL22279374 0.84 MIF (0.42) MIFGAALMNAALDH1A1
SCHEMBL21304587 0.84 MIF (0.42) MIFGAALMNAALDH1A1
SCHEMBL13953683 0.83 MIF (0.41) MIF
SCHEMBL1755331 0.83 MIF (0.41) MIF
SCHEMBL17027583 0.81 ADRB2 (0.45) MIFTDP1HSD11B1HPGDMEN1
SCHEMBL16034537 0.81 MIF (0.39) MIFTDP1HSD11B1LMNAALDH1A1
SCHEMBL958908 0.81 MIF (0.39) MIFALOX5HSD11B1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102224139-B 4- (azacycloalkyl) benzene-1, 3-diol compounds as tyrosinase inhibitors, process for their preparation and their use in human medicine and cosmetics GALDERMA RES & DEV 2014-11-19 CN disclosed
EP-2183228-B1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-08-20 EP disclosed
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
CN-102224139-A Novel 4- (azacycloalkyl) benzene-1, 3-diol compounds as tyrosinase inhibitors, process for their preparation and their use in human medicine and cosmetics GALDERMA RES & DEV 2011-10-19 CN disclosed
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals ,Inc. 2011-01-20 US disclosed
EP-2183228-A1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 WO disclosed
EP-0436722-B1 POLYSACCHARIDE DERIVATIVES AND SEPARATING AGENT DAICEL CHEM (JP) 1997-05-07 EP disclosed
US-5202433-A For racemic mixtures DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1993-04-13 US disclosed
EP-0436722-A1 POLYSACCHARIDE DERIVATIVES AND SEPARATING AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1991-07-17 EP disclosed
US-4242122-A CARBAMOYL-OXY AND -THIO DERIVATIVES OF PHENYLUREA MONSANTO COMPANY (US) 1980-12-30 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-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 CHRNA7 2594/4885MIF 148/4885ACHE 3450/4885

“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.