SCHEMBL7672598

SCHEMBL7672598

COc1ccc(CO)c(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
HSD17B10 Q99714 3/20 0.46
TP53 P04637 2/20 0.46
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MAOA P21397 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAOB P27338 2/20 0.43
GLA P06280 1/20 0.43
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CLK1 P49759 2/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42

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
SCHEMBL7366426 0.87 NOS2 (0.50) NPC1RAB9AHSD17B10TP53KDM4E
SCHEMBL21780744 0.85 NPC1 (0.47) NPC1RAB9AHSD17B10TP53KDM4E
SCHEMBL1488919 0.84 NPC1 (0.43) NPC1RAB9AHSD17B10TP53KDM4E
SCHEMBL2085379 0.84 NPC1 (0.43) NPC1RAB9AHSD17B10TP53KDM4E
SCHEMBL7672592 0.84 NPC1 (0.46) NPC1RAB9AHSD17B10TP53KDM4E
SCHEMBL2441387 0.82 HSD17B10 (0.58) NPC1RAB9AHSD17B10TP53KDM4E
SCHEMBL27279821 0.81 NPC1 (0.41) NPC1RAB9AHSD17B10TP53KDM4E
SCHEMBL2437800 0.80 NPC1 (0.55) NPC1RAB9AHSD17B10TP53KDM4E
SCHEMBL28743352 0.79 POLB (0.64) NPC1RAB9AHSD17B10TP53KDM4E
SCHEMBL7320659 0.78 PGR (0.56) NPC1RAB9AHSD17B10TP53KDM4E

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
US-9635857-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-02 US disclosed
US-20160235065-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-18 US disclosed
CN-102633730-A Substituted piperazines as cb1 antagonists SCHERING CORP 2012-08-15 CN disclosed
CN-102558075-A Substituted piperazines as CB1 antagonists SCHERING CORP 2012-07-11 CN disclosed
CN-101115726-A Substituted piperazines as cb1 antagonists SCHERING CORP (US) 2008-01-30 CN disclosed
US-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP disclosed
US-6077853-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 2000-06-20 US disclosed
EP-0951285-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-10-27 EP disclosed
US-5939439-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-08-17 US disclosed
WO-1998029119-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1998-07-09 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 (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-20160235065-A1 TETRAZOLINONE COMPOUND AND USE THEREOF MRPS17, TAOK1, TAOK3 NPC1 4172/4885RAB9A 1095/4885HSD17B10 561/4885

“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.