SCHEMBL15979067

SCHEMBL15979067

CCCC(=O)N(C)c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 1/20 0.53
▸ HTR3B O95264 1/20 0.53
▸ HTR3A P46098 1/20 0.53
▸ HTR3D Q70Z44 1/20 0.53
▸ HTR3C Q8WXA8 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.49
▸ TP53 P04637 2/20 0.46
▸ HSD17B1 P14061 1/20 0.43
▸ HSD17B2 P37059 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CTPS1 P17812 1/20 0.43
▸ POLQ O75417 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL11339933 0.83 HTR3E (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7496040 0.82 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL23222221 0.82 ALDH1A1 (0.51) ALDH1A1TP53HSD17B1HSD17B2NPC1
SCHEMBL102468 0.82 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL28746541 0.81 EGFR (0.48) ALDH1A1TP53GAAMAPTNPSR1
SCHEMBL28746573 0.81 LTB4R2 (0.47) ALDH1A1TP53NPC1KDM4EHTT
SCHEMBL21979302 0.81 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL28746511 0.81 TP53 (0.46) ALDH1A1TP53KDM4EKMT2A
SCHEMBL14229350 0.80 ALDH1A1 (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL22170065 0.80 DRD4 (0.44) ALDH1A1TP53MAPTPOLQHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539121-A A novel, photo-promoted process for the preparation of sulfonates and sulfonamides from sulfonyl chlorides 天津师范大学 2022-05-27 — — CN disclosed
US-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORPORATION (US) 2014-08-28 — — 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-20140243302-A1 BRIDGED BICYCLIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS PAICS, SBDS, SORD HTR3E 4651/4885HTR3B 4222/4885HTR3A 4358/4885

“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.

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