SCHEMBL211804

SCHEMBL211804

O=C(O)c1ccc(C(F)(F)F)cn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.70
P4HTM Q9NXG6 5/20 0.53
P4HA1 P13674 1/20 0.53
MIF P14174 1/20 0.53
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 1/20 0.52
ASPH Q12797 2/20 0.49
MAPK1 P28482 2/20 0.48
RIOX2 Q8IUF8 1/20 0.48
KDM8 Q8N371 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SRD5A2 P31213 1/20 0.46
AGBL2 Q5U5Z8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44

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
SCHEMBL31532327 1.00 KMT2A (0.70) KMT2AP4HTMP4HA1MIFKDM4E
Hydrochloric Acid SCHEMBL9779782 0.98 KMT2A (0.68) KMT2AP4HTMP4HA1MIFKDM4E
Hydrazine SCHEMBL28254112 0.96 KMT2A (0.71) KMT2AP4HTMP4HA1MIFKDM4E
SCHEMBL27680503 0.86 KMT2A (0.72) KMT2AKDM4EALDH1A1MAPK1NPC1
SCHEMBL5131139 0.85 KMT2A (0.53) KMT2AP4HTMP4HA1MIFKDM4E
SCHEMBL10328712 0.85 KMT2A (0.51) KMT2AP4HTMP4HA1MIFKDM4E
SCHEMBL14684607 0.85 KMT2A (0.51) KMT2AP4HTMP4HA1MIFKDM4E
SCHEMBL18275125 0.83 KMT2A (0.50) KMT2AP4HTMP4HA1MIFKDM4E
SCHEMBL709672 0.82 KMT2A (0.68) KMT2AKDM4EALDH1A1MAPK1NPC1
SCHEMBL9779781 0.82 KMT2A (0.68) KMT2AKDM4EMAPK1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 US claimed
CN-113880762-B Triacylamine derivatives containing 1,8-naphthalimide as well as preparation method and application thereof 河北农业大学 2023-02-21 CN claimed
CN-113880762-A 1, 8-naphthalimide-containing triacylamine derivatives, and preparation method and application thereof 河北农业大学 2022-01-04 CN claimed
US-20210061760-A1 SUBSTITUTED BENZAMIDES HOFFMANN LA ROCHE (US) 2021-03-04 US claimed
CN-111162313-A Polymer electrolyte and lithium ion battery 珠海冠宇电池有限公司 2020-05-15 CN claimed
US-20200048194-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-02-13 US claimed
CN-108516955-A A kind of 5- trifluoromethyls -2- pyridine amides and the preparation method and application thereof 上海凯爱网络科技有限公司 2018-09-11 CN claimed
EP-3187490-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-07-05 EP claimed
US-9452980-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2016-09-27 US claimed
US-9428456-B2 1-[m-carboxamido(hetero)aryl-methyl]-heterocyclyl-carboxamide derivatives ACTELION PHARMACEUTICALS LTD (CH) 2016-08-30 US claimed
CN-102652129-A Amino oxazine derivatives HOFFMANN LA ROCHE 2012-08-29 CN claimed
EP-2483255-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2012-08-08 EP claimed
WO-2012095521-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2012-07-19 WO claimed
CN-102471293-A Oxazine derivatives and their use as BACE inhibitors for the treatment of neurological disorders NOVARTIS AG 2012-05-23 CN claimed
CN-102421760-A Dihydropyrimidinones useful as BACE2 inhibitors HOFFMANN LA ROCHE 2012-04-18 CN claimed
WO-2012006953-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-01-19 WO claimed
WO-2010128058-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO claimed
US-20100286158-A1 DIHYDROPYRIMIDINONES HOFFMANN-LA ROCHE, INC. 2010-11-11 US claimed
EP-0034917-B1 2-SUBSTITUTED-5-TRIFLUOROMETHYLPYRIDINES AND A PROCESS FOR PRODUCING THE SAME ISHIHARA SANGYO KAISHA LTD. (JP) 1984-08-08 EP claimed
EP-0034917-A1 2-Substituted-5-trifluoromethylpyridines and a process for producing the same ISHIHARA SANGYO KAISHA LTD. (JP) 1981-09-02 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R KMT2A 846/4885P4HTM 1684/4885P4HA1 993/4885
US-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R KMT2A 846/4885P4HTM 1684/4885P4HA1 993/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R KMT2A 846/4885P4HTM 1684/4885P4HA1 993/4885
US-20100286158-A1 DIHYDROPYRIMIDINONES BACE2, BACE1, PSEN2 KMT2A 3692/4885P4HTM 902/4885P4HA1 448/4885

“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.