SCHEMBL24714749

SCHEMBL24714749

CC(C)(C)c1nccc(C(=O)NC2CCNCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 7/20 0.45
CD38 P28907 7/20 0.43
HPGDS O60760 1/20 0.42
SCN9A Q15858 1/20 0.42
PIM1 P11309 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ACKR3 P25106 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL24714747 0.81 HDAC4 (0.45) CD38HPGDSCYP2D6CYP2B6CYP2C19
SCHEMBL25053103 0.80 SMYD3 (0.48) SMYD3CD38HPGDSSCN9APIM1
SCHEMBL24925438 0.74 HDAC1 (0.42) HDAC6
SCHEMBL5308759 0.74 P2RX7 (0.51) SMYD3CD38PIM1ACKR3
SCHEMBL5031756 0.73 RAB9A (0.40) SMYD3CD38CYP2D6CYP2B6CYP2C19
SCHEMBL24925529 0.73 P2RX7 (0.49) CYP2D6CYP2C19
SCHEMBL29745057 0.72 GRM5 (0.67) SMYD3
SCHEMBL24714547 0.72 CNR1 (0.44) SCN9A
SCHEMBL24714799 0.72 HPGD (0.49) SCN9A
Hydrochloric Acid SCHEMBL4713340 0.71 GRM5 (0.65) SMYD3

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 SMYD3 2650/4885CD38 720/4885HPGDS 1669/4885

“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.