SCHEMBL24714546

SCHEMBL24714546

CC(C)(CS)c1nccc(C(=O)N2CCNCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
SCN9A Q15858 11/20 0.41
CFTR P13569 2/20 0.41
SCN7A Q01118 9/20 0.40
KCNH2 Q12809 8/20 0.40
CCNC P24863 3/20 0.38
CDK8 P49336 3/20 0.38
SIGMAR1 Q99720 1/20 0.38
SCN10A Q9Y5Y9 3/20 0.37
SCN5A Q14524 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
HRH4 Q9H3N8 1/20 0.36

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
SCHEMBL24714799 0.86 HPGD (0.49) HPGDSCN9ACFTRSCN7AKCNH2
SCHEMBL18522483 0.81 SCN9A (0.51) SCN9ASCN7AKCNH2SIGMAR1SCN10A
SCHEMBL8521213 0.73 SCN9A (0.45) HPGDSCN9ACFTRSCN7AKCNH2
SCHEMBL10865025 0.71 SIGMAR1 (0.43) SCN9ACFTRSCN7AKCNH2CCNC
Hydrochloric Acid SCHEMBL7252859 0.71 GNE (0.60) HPGDSCN9ASCN7AKCNH2SIGMAR1
SCHEMBL11916039 0.70 HPGD (0.56) HPGDSCN9ACFTRSCN7AKCNH2
SCHEMBL7245767 0.69 GNE (0.62) SCN9ASCN7AKCNH2SIGMAR1HRH4
Hydrochloric Acid SCHEMBL31138180 0.68 CD38 (0.52)
SCHEMBL20387741 0.68 CCNC (0.46) HPGDSCN9ACFTRSCN7AKCNH2
SCHEMBL15219444 0.68 PDE10A (0.48) HPGDCFTRCCNCCDK8SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220235032-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2022-07-28 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 (1 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-20220235032-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF RIPK1, RIPK4, RIPK3 HPGD 1012/4885SCN9A 4158/4885CFTR 983/4885

“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.