SCHEMBL16664764

SCHEMBL16664764

Cn1nc(-c2cccc(Cl)c2)cc1O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
ESR2 Q92731 1/20 0.44
ALOX5 P09917 1/20 0.43
PTGS2 P35354 1/20 0.42
KMO O15229 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
FYN P06241 1/20 0.41
F2RL3 Q96RI0 1/20 0.41
TLR8 Q9NR97 1/20 0.41
KDM5B Q9UGL1 1/20 0.40

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
SCHEMBL17295620 1.00 IDO1 (0.44) IDO1ESR2ALOX5PTGS2KMO
SCHEMBL17291033 0.82 SMN1; SMN2 (0.42) KMOMAPT
SCHEMBL23402778 0.81 NPC1 (0.49) IDO1KMONPC1MAPTRAB9A
SCHEMBL4765637 0.81 MAPT (0.48) IDO1NPC1GAAMAPTRAB9A
SCHEMBL1716280 0.81 MAPT (0.50) NPC1MAPTRAB9A
SCHEMBL16664794 0.81 CTSS (0.44) IDO1ESR2ALOX5GAAMAPT
SCHEMBL16667664 0.80 CYP11B1 (0.50) NPC1MAPTMAPK1RAB9A
SCHEMBL28067324 0.80 IDO1 (0.44) IDO1PTGS2NPC1GAAMAPT
SCHEMBL25645955 0.80 ESR2 (0.44) IDO1ESR2KMONPC1GAA
SCHEMBL25719682 0.80 METAP2 (0.42) MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3059235-B1 TETRAZOLINONE DERIVATIVES AND THEIR USE FOR CONTROLLING PESTS SUMITOMO CHEMICAL CO (JP) 2020-10-28 EP disclosed
EP-3059235-B1 TETRAZOLINONE DERIVATIVES AND THEIR USE FOR CONTROLLING PESTS SUMITOMO CHEMICAL CO (JP) 2020-10-28 EP disclosed
EP-3148972-B1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS INC (US) 2019-08-21 EP disclosed
US-10085450-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-10-02 US disclosed
US-9682938-B2 Pyrazolone derivatives as nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-06-20 US disclosed
EP-3148972-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS Cardioxyl Pharmaceuticals Inc. (US) 2017-04-05 EP disclosed
US-20160270399-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-09-22 US disclosed
US-20160270399-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-09-22 US disclosed
US-20160270399-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-09-22 US disclosed
EP-3059235-A1 TETRAZOLINONE COMPOUND AND APPLICATION FOR SAME Sumitomo Chemical Company, Ltd. (JP) 2016-08-24 EP disclosed
EP-3059235-A1 TETRAZOLINONE COMPOUND AND APPLICATION FOR SAME Sumitomo Chemical Company, Ltd. (JP) 2016-08-24 EP disclosed
WO-2015183839-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2015-12-03 WO disclosed
US-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2015-12-03 US disclosed
WO-2015056806-A1 TETRAZOLINONE COMPOUND AND APPLICATION FOR SAME 住友化学株式会社 2015-04-23 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 (3 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-10085450-B2 Tetrazolinone compound and use thereof ROS1, TCOF1, RPS20 IDO1 2339/4885ESR2 3393/4885ALOX5 3343/4885
US-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS TNNI3, PFKP, NOX5 IDO1 1124/4885ESR2 2731/4885ALOX5 325/4885
US-20160270399-A1 TETRAZOLINONE COMPOUND AND USE THEREOF ROS1, TCOF1, RPS20 IDO1 2339/4885ESR2 3393/4885ALOX5 3343/4885

“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.