SCHEMBL20577901

SCHEMBL20577901

O=c1ccc(CBr)cn1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
GSK3B P49841 2/20 0.38
PTPN1 P18031 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
IDH1 O75874 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
TRPA1 O75762 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KCNH2 Q12809 1/20 0.36
MCHR1 Q99705 1/20 0.36
IDO1 P14902 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GSK3A P49840 1/20 0.36
DAO P14920 1/20 0.35
CHRM5 P08912 1/20 0.35
ME2 P23368 1/20 0.35
ME1 P48163 1/20 0.35

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
SCHEMBL10059425 0.85 KMT2A (0.39) KMT2AGSK3BMKNK1MKNK2IDH1
SCHEMBL20670344 0.84 TAAR1 (0.44) KMT2AMKNK1MKNK2IDH1TAAR1
Hydrochloric Acid SCHEMBL20578023 0.83 MAOB (0.45) KMT2AMKNK1MKNK2IDH1TAAR1
SCHEMBL12333052 0.81 GSK3A (0.42) GSK3BKDM4EALDH1A1GSK3A
SCHEMBL3729672 0.80 ALDH1A1 (0.55) KMT2ATRPA1KDM4EALDH1A1
SCHEMBL16541537 0.79 NPC1 (0.40) KMT2AMKNK1MKNK2IDH1NPC1
SCHEMBL10079093 0.77 HTT (0.43) KMT2AIDH1NPC1RAB9AKDM4E
SCHEMBL29348797 0.75 KDM4E (0.42) KMT2AGSK3BKDM4EALDH1A1GSK3A
SCHEMBL3305806 0.75 ALDH1A1 (0.62) GSK3BIDH1MCHR1KDM4EALDH1A1
SCHEMBL4229 0.74 TAAR1 (0.54) KMT2AGSK3BPTPN1TAAR1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108602807-B Heterocyclic sulfonamide derivatives and drugs containing the same EA制药株式会社 2022-05-13 CN disclosed
EP-3412664-B1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE CONTAINING SAME EA PHARMA CO LTD (JP) 2022-03-30 EP disclosed
US-10584116-B2 Heterocyclic sulfonamide derivative and medicine containing same EA PHARMA CO., LTD. (JP) 2020-03-10 US disclosed
US-20190023699-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE CONTAINING SAME EA PHARMA CO., LTD. (JP) 2019-01-24 US disclosed
EP-3412664-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE CONTAINING SAME EA Pharma Co., Ltd. (JP) 2018-12-12 EP disclosed
CN-108602807-A Heterocycle sulfamide derivatives and drug containing it EA制药株式会社 2018-09-28 CN 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 (2 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-20190023699-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE CONTAINING SAME TRPA1, TRPV1, TRPV2 KMT2A 3357/4885GSK3B 4663/4885PTPN1 1309/4885
US-10584116-B2 Heterocyclic sulfonamide derivative and medicine containing same TRPA1, TRPV1, TRPV2 KMT2A 3357/4885GSK3B 4663/4885PTPN1 1309/4885

“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.