SCHEMBL3357693

SCHEMBL3357693

CO/N=C/c1ccc(C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
RAB9A P51151 4/20 0.58
GAA P10253 2/20 0.57
SRC P12931 1/20 0.53
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
GRIN2D O15399 2/20 0.45
GRIN3B O60391 2/20 0.45
GRIN1 Q05586 2/20 0.45
GRIN2A Q12879 2/20 0.45
GRIN2B Q13224 2/20 0.45
GRIN2C Q14957 2/20 0.45
GRIN3A Q8TCU5 2/20 0.45
RELA Q04206 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
CYP2A6 P11509 1/20 0.42
CYP3A4 P08684 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
SCHEMBL6871468 1.00 NPC1 (0.58) NPC1SMN1; SMN2RAB9AGAASRC
SCHEMBL13397720 0.90 SRC (0.61) NPC1SMN1; SMN2RAB9AGAASRC
SCHEMBL12756974 0.79 MAOB (0.52) SMN1; SMN2GAASRCALDH1A1MAPK1
SCHEMBL9841035 0.79 SRC (0.52) GAASRCALDH1A1MAPK1TDP1
SCHEMBL1963947 0.79 GRIN2D (0.53) SMN1; SMN2RAB9AGAASRCALDH1A1
SCHEMBL14266359 0.79 SRC (0.52) NPC1SMN1; SMN2RAB9AGAASRC
SCHEMBL6077468 0.79 GRIN2D (0.53) SMN1; SMN2RAB9AGAASRCALDH1A1
SCHEMBL9841030 0.79 SRC (0.62) SMN1; SMN2GAASRCALDH1A1MAPT
SCHEMBL14480023 0.79 MAOB (0.52) SMN1; SMN2GAASRCALDH1A1MAPK1
SCHEMBL5105871 0.79 SRC (0.52) NPC1SMN1; SMN2RAB9AGAASRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190047968-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES FMC CORP (US) 2019-02-14 US disclosed
US-20170129861-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2017-05-11 US disclosed
US-20170129861-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2017-05-11 US disclosed
US-9637441-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2017-05-02 US disclosed
US-9573909-B2 6-acyl-1,2,4-triazine-3,5-dione derivative and herbicides FMC CORPORATION (US) 2017-02-21 US disclosed
US-9573909-B2 6-acyl-1,2,4-triazine-3,5-dione derivative and herbicides FMC CORPORATION (US) 2017-02-21 US disclosed
EP-3020709-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES FMC CORPORATION (US) 2016-05-18 EP disclosed
EP-2542538-B1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES FMC CORP (US) 2015-12-30 EP disclosed
US-20150203457-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2015-07-23 US disclosed
US-20150203457-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2015-07-23 US disclosed
EP-0760811-B1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 MODULATORS INST NAT SANTE RECH MED (FR) 2009-11-18 EP disclosed
US-20090042925-A1 OXIME SUBSTITUTED IMIDAZOQUINOLINES COLEY PHARMACEUTICAL GROUP, INC. 2009-02-12 US disclosed
US-20090042925-A1 OXIME SUBSTITUTED IMIDAZOQUINOLINES COLEY PHARMACEUTICAL GROUP, INC. 2009-02-12 US disclosed
WO-2007120121-A2 OXIME AND HYDROXYLAMINE SUBSTITUTED THIAZOLO[4,5-C] RING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-10-25 WO disclosed
US-20070066639-A1 Oxime substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2007-03-22 US disclosed
US-20070066639-A1 Oxime substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2007-03-22 US disclosed
EP-1467695-A2 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-10-20 EP disclosed
US-6777440-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US disclosed
US-20030176495-A1 HIV Integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-18 US disclosed
WO-2003049690-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-19 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 (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-20170129861-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES DDT, AADAC, DAZAP1 NPC1 4693/4885SMN1; SMN2 4583/4885RAB9A 4078/4885
US-20150203457-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES DDT, AADAC, DAZAP1 NPC1 4693/4885SMN1; SMN2 4583/4885RAB9A 4078/4885
US-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 NPC1 230/4885SMN1; SMN2 3234/4885RAB9A 2047/4885
US-20090042925-A1 OXIME SUBSTITUTED IMIDAZOQUINOLINES IFNG, IL2, IRF3 NPC1 4695/4885SMN1; SMN2 2541/4885RAB9A 3922/4885
US-20190047968-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES DDT, AADAC, DAZAP1 NPC1 4693/4885SMN1; SMN2 4583/4885RAB9A 4078/4885
US-20070066639-A1 Oxime substituted imidazoquinolines IFNG, IRF3, IL2 NPC1 4636/4885SMN1; SMN2 2111/4885RAB9A 3972/4885

“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.