SCHEMBL4962010

SCHEMBL4962010

Oc1cc(F)cc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.64
TRPM4 Q8TD43 1/20 0.60
CYP1A2 P05177 3/20 0.52
PTPN1 P18031 1/20 0.50
CYP2A6 P11509 1/20 0.46
HSD17B1 P14061 2/20 0.44
HSD17B2 P37059 2/20 0.44
ALOX5 P09917 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.42
HIF1A Q16665 1/20 0.42
CYP1B1 Q16678 1/20 0.42
PLAU P00749 1/20 0.42
IDO1 P14902 1/20 0.42
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 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
SCHEMBL30260060 1.00 NQO2 (0.64) NQO2TRPM4CYP1A2PTPN1CYP2A6
SCHEMBL27769276 0.80 TRPM4 (0.59) NQO2TRPM4CYP1A2CYP2A6PTPN22
SCHEMBL8196720 0.78 NQO2 (0.67) NQO2TRPM4CYP1A2PTPN1HSD17B1
SCHEMBL5147716 0.78 NQO2 (1.00) NQO2TRPM4CYP1A2PTPN1HSD17B1
SCHEMBL28681 0.78 NQO2 (1.00) NQO2TRPM4CYP1A2PTPN1HSD17B1
SCHEMBL29351048 0.78 NQO2 (1.00) NQO2TRPM4CYP1A2PTPN1HSD17B1
SCHEMBL31556780 0.77 HSD17B1 (0.59) NQO2CYP1A2CYP2A6HSD17B1HSD17B2
SCHEMBL2529937 0.77 HSD17B1 (0.59) NQO2CYP1A2CYP2A6HSD17B1HSD17B2
Naphthalene SCHEMBL25439100 0.76 NQO2 (0.95) NQO2TRPM4CYP1A2PTPN1HSD17B1
SCHEMBL3368401 0.75 HPRT1 (0.52) NQO2TRPM4CYP1A2CYP2A6ALDH1A1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
EP-2841433-B1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL CO (JP) 2017-06-21 EP disclosed
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed
US-9380782-B2 Tetrazolinone compounds and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-05 US disclosed
EP-2841429-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES Sumitomo Chemical Company Limited (JP) 2015-03-04 EP disclosed
EP-2841433-A1 TETRAZOLINONE COMPOUNDS AND ITS USE Sumitomo Chemical Company Limited (JP) 2015-03-04 EP disclosed
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-02-19 US disclosed
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-29 US disclosed
WO-2015013456-A1 INDICATOR COMPOUNDS, POLYMERIZABLE DERIVATIVES THEREOF AND INFECTION INDICATING MEDICAL DEVICES COMPRISING THE SAME INDICATOR SYSTEMS INTERNATIONAL, INC. (US) 2015-01-29 WO disclosed
EP-1871844-B1 BUBBLE COMPOSITION WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2014-08-27 EP disclosed
US-20060257439-A1 Cleansing compositions with color changing indicator CRAYOLA LLC 2006-11-16 US disclosed
US-20060236470-A1 Novelty compositions with color changing indicator CRAYOLA LLC 2006-10-26 US disclosed
WO-2006105193-A2 PERSONAL CARE COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
WO-2006105261-A1 CLEANSING COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
WO-2006105260-A1 ORAL CARE COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
WO-2006105191-A2 NOVELTY COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
US-20060222601-A1 Oral care compositions with color changing indicator C2C TECHNOLOGIES, LLC 2006-10-05 US disclosed
US-20060222675-A1 Personal care compositions with color changing indicator C2C TECHNOLOGIES, LLC 2006-10-05 US disclosed
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 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 (6 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-20060222675-A1 Personal care compositions with color changing indicator CUTA, POLR1C, TYR NQO2 4/4885TRPM4 1604/4885CYP1A2 2439/4885
US-20060257439-A1 Cleansing compositions with color changing indicator WASHC5, WASHC4, FHIT NQO2 23/4885TRPM4 1980/4885CYP1A2 1906/4885
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE CBR3, CYP51A1, CYP8B1 NQO2 2176/4885TRPM4 1177/4885CYP1A2 18/4885
US-20060222601-A1 Oral care compositions with color changing indicator CA9, CA7, TAS2R7 NQO2 54/4885TRPM4 2446/4885CYP1A2 2426/4885
US-20060236470-A1 Novelty compositions with color changing indicator MITF, CRABP2, SHH NQO2 1202/4885TRPM4 1169/4885CYP1A2 3782/4885
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES CBR3, CYCS, CBR1 NQO2 3023/4885TRPM4 1150/4885CYP1A2 49/4885

“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.