SCHEMBL7672592

SCHEMBL7672592

COc1ccc(C[O])c(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GLA P06280 3/20 0.45
HSD17B10 Q99714 4/20 0.45
TP53 P04637 2/20 0.45
MAOB P27338 1/20 0.42
KDM4E B2RXH2 5/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
CLK1 P49759 3/20 0.41
CASP1 P29466 2/20 0.41
MAPK1 P28482 1/20 0.41
CASP7 P55210 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
GAA P10253 3/20 0.41

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
SCHEMBL21780744 0.87 NPC1 (0.47) NPC1RAB9AMEN1KMT2AGLA
SCHEMBL7663985 0.86 NOS2 (0.50) NPC1RAB9AMEN1KMT2AGLA
SCHEMBL7672598 0.84 NPC1 (0.47) NPC1RAB9AMEN1KMT2AGLA
SCHEMBL2085379 0.82 NPC1 (0.43) NPC1RAB9AMEN1KMT2AGLA
SCHEMBL1488919 0.82 NPC1 (0.43) NPC1RAB9AMEN1KMT2AGLA
SCHEMBL2441387 0.80 HSD17B10 (0.58) NPC1RAB9AMEN1KMT2AGLA
SCHEMBL27279821 0.79 NPC1 (0.41) NPC1RAB9AMEN1KMT2AGLA
SCHEMBL2437800 0.79 NPC1 (0.55) NPC1RAB9AMEN1KMT2AGLA
SCHEMBL28743352 0.78 POLB (0.64) NPC1RAB9AHSD17B10TP53KDM4E
SCHEMBL9560109 0.77 MAOB (0.57) NPC1RAB9AMEN1KMT2AGLA

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 4 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
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

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 1095/4885MEN1 1986/4885

“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.