SCHEMBL3724728

SCHEMBL3724728

NCc1cc(-c2ccc(C(F)(F)F)cc2)nc(N)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
LTA4H P09960 1/20 0.44
HEXA P06865 1/20 0.44
HEXB P07686 1/20 0.44
PTGS2 P35354 1/20 0.43
HRH2 P25021 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
DPP4 P27487 1/20 0.42
KIF11 P52732 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
TOP1 P11387 1/20 0.40
NPBWR1 P48145 1/20 0.40
TLR8 Q9NR97 1/20 0.40
MAOB P27338 1/20 0.39
ADORA3 P0DMS8 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL18224600 0.91 KDM4E (0.43) KDM4EHSD17B10ALDH1A1CTSSCTSK
SCHEMBL3725421 0.87 DPP4 (0.50) KDM4EHSD17B10ALDH1A1CTSSCTSK
SCHEMBL3717919 0.84 CTSS (0.47) KDM4ECTSSCTSKLTA4HHEXA
SCHEMBL3727413 0.83 CTSS (0.49) CTSSCTSKLTA4HHEXAHEXB
SCHEMBL3721220 0.82 KIF11 (0.51) CTSSCTSKLTA4HDPP4KIF11
SCHEMBL3724702 0.81 CTSS (0.47) ALDH1A1CTSSCTSKLTA4HDPP4
SCHEMBL3720125 0.80 CTSS (0.46) CTSSCTSKLTA4HDPP4KIF11
SCHEMBL3721095 0.80 HSD17B10 (0.49) KDM4EHSD17B10ALDH1A1CTSSCTSK
SCHEMBL3718641 0.80 DPP4 (0.47) CTSSCTSKLTA4HDPP4ADORA2A
Hydrochloric Acid SCHEMBL18224168 0.79 CTSS (0.45) CTSSCTSKLTA4HDPP4TOP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US claimed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO claimed
US-10626112-B2 Heterocyclic sulfonamide derivative and medicine comprising same EA PHARMA CO., LTD. (JP) 2020-04-21 US disclosed
US-20160332999-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME EA PHARMA CO., LTD. (JP) 2016-11-17 US disclosed
US-20160332999-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME EA PHARMA CO., LTD. (JP) 2016-11-17 US disclosed
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 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 (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-20160332999-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME TRPA1, TRPV1, TRPV2 KDM4E 4128/4885HSD17B10 2430/4885ALDH1A1 546/4885
US-10626112-B2 Heterocyclic sulfonamide derivative and medicine comprising same TRPA1, TRPV1, TRPV2 KDM4E 4128/4885HSD17B10 2430/4885ALDH1A1 546/4885

“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.