SCHEMBL4880339

SCHEMBL4880339

CCOc1c[c]cc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.44
MAPT P10636 3/20 0.39
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 2/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 4/20 0.36
LTA4H P09960 2/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
ALOX15 P16050 1/20 0.34
KDM4E B2RXH2 2/20 0.33
NFKB1 P19838 1/20 0.33
NPC1 O15118 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL907784 0.85 NQO1 (0.52) NQO1MAPTTSHRTDP1TP53
SCHEMBL17046377 0.83 MAPT (0.41) MAPTTP53KMT2ALTA4HMEN1
SCHEMBL16954559 0.81 KMT2A (0.46) MAPTTSHRTDP1CYP3A4KMT2A
SCHEMBL1547677 0.78 MAPT (0.54) NQO1MAPTTSHRTDP1TP53
SCHEMBL3780893 0.78 NQO1 (0.50) NQO1MAPTTSHRTDP1TP53
SCHEMBL9321564 0.78 NR5A1 (0.46) TSHRTP53KMT2ALTA4HNPC1
SCHEMBL499727 0.77 ESR1 (0.47) NQO1MAPTTSHRTDP1TP53
SCHEMBL5740806 0.77 NQO1 (0.44) NQO1MAPTTSHRTDP1TP53
SCHEMBL16952562 0.77 NQO1 (0.39) NQO1MAPTTSHRTDP1TP53
SCHEMBL16951169 0.77 KDM1A (0.36) MAPTTSHRTDP1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110642918-B Diosgenin derivative and preparation method and application thereof 山东师范大学 2021-01-08 CN claimed
CN-110642918-A Diosgenin derivative and preparation method and application thereof 山东师范大学 2020-01-03 CN claimed
US-10029992-B2 Diaminotriazine compounds and their use as herbicides BASF SE (DE) 2018-07-24 US claimed
EP-3134391-A1 DIAMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2017-03-01 EP claimed
US-20170044114-A1 Diaminotriazine compounds and their use as herbicides BASF SE (DE) 2017-02-16 US claimed
WO-2015162166-A1 DIAMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2015-10-29 WO claimed
US-20230150931-A1 FABP4/5 INHIBITORS, METHODS OF USE AND METHODS OF MAKING NOVIUS THERAPEUTICS, LLC (US) 2023-05-18 US disclosed
EP-3544962-B1 DIAMINOTRIAZINE COMPOUNDS BASF SE (DE) 2021-07-28 EP disclosed
CN-110642918-B Diosgenin derivative and preparation method and application thereof 山东师范大学 2021-01-08 CN disclosed
US-20200383329-A1 DIAMINOTRIAZINE COMPOUNDS BASF SE (DE) 2020-12-10 US disclosed
CN-110642918-A Diosgenin derivative and preparation method and application thereof 山东师范大学 2020-01-03 CN disclosed
EP-3544962-A1 DIAMINOTRIAZINE COMPOUNDS BASF SE (DE) 2019-10-02 EP disclosed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
EP-3134391-A1 DIAMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2017-03-01 EP disclosed
US-20170044114-A1 Diaminotriazine compounds and their use as herbicides BASF SE (DE) 2017-02-16 US disclosed
WO-2015162166-A1 DIAMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2015-10-29 WO disclosed
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-20080293939-A1 QUINAZOLINONE DERIVATIVES USEFUL AS ANTI-HYPERALGESIC AGENTS CULSHAW ANDREW JAMES 2008-11-27 US disclosed
US-20060154942-A1 Quinazolinone derivatives useful as anti-hyperalgesic agents CULSHAW ANDREW J 2006-07-13 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 (7 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-20080293939-A1 QUINAZOLINONE DERIVATIVES USEFUL AS ANTI-HYPERALGESIC AGENTS OPRK1, OPRL1, TRPV1 NQO1 171/4885MAPT 4614/4885TSHR 2413/4885
US-20230150931-A1 FABP4/5 INHIBITORS, METHODS OF USE AND METHODS OF MAKING FABP5, FABP1, FABP4 NQO1 1001/4885MAPT 3579/4885TSHR 3440/4885
US-10029992-B2 Diaminotriazine compounds and their use as herbicides NR4A3, CBR3, RCOR3 NQO1 549/4885MAPT 4632/4885TSHR 750/4885
US-20200383329-A1 DIAMINOTRIAZINE COMPOUNDS DDT, DPM1, AOC1 NQO1 65/4885MAPT 924/4885TSHR 2414/4885
US-20060154942-A1 Quinazolinone derivatives useful as anti-hyperalgesic agents OPRK1, OPRL1, TRPV1 NQO1 171/4885MAPT 4614/4885TSHR 2413/4885
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX NQO1 1187/4885MAPT 4724/4885TSHR 1336/4885
US-20170044114-A1 Diaminotriazine compounds and their use as herbicides NR4A3, CBR3, RCOR3 NQO1 569/4885MAPT 4623/4885TSHR 748/4885

“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.