Sugi Predict

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SCHEMBL3489321

SCHEMBL3489321

COc1ccccc1CN1C(=O)N(Cc2ccccc2)c2cc(Cl)cc(N3CCNCC3)c2S1(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 2/20 0.43
▸ HTR3B O95264 2/20 0.43
▸ HTR3A P46098 2/20 0.43
▸ HTR3D Q70Z44 2/20 0.43
▸ HTR3C Q8WXA8 2/20 0.43
▸ HCRTR1 O43613 1/20 0.42
▸ HCRTR2 O43614 1/20 0.42
▸ HTR6 P50406 4/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HTR7 P34969 3/20 0.39
▸ SLC6A2 P23975 2/20 0.39
▸ SLC6A4 P31645 2/20 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
SCHEMBL3488417 0.91 HCRTR1 (0.43) HCRTR1HCRTR2HTR6DRD2DRD3
SCHEMBL3489512 0.89 HTR6 (0.40) HTR6ADRB1DRD2DRD3LMNA
SCHEMBL3488616 0.89 HTR6 (0.41) HTR6ADRB1DRD2CYP2C19DRD3
SCHEMBL3489858 0.89 HTR6 (0.45) HTR3AHTR6ADRB1SIGMAR1MAPT
SCHEMBL3490431 0.88 HTR3A (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3489115 0.87 HTR6 (0.40) HTR6CYP2C19MAPTKDM4EALDH1A1
SCHEMBL3491532 0.87 HTR6 (0.42) HTR6DRD2DRD3MAPTSLC6A2
SCHEMBL3490336 0.87 CMA1 (0.44) HTR6CYP2C19SIGMAR1LMNAALDH1A1
SCHEMBL3490332 0.86 HCRTR1 (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3489119 0.86 HTR6 (0.43) HTR6ADRB1DRD2DRD3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035866-A1 NOVEL SUBSTITUTED-1, 1-DIOXO-BENZO[1,2,4]THIADIAZIN-3ONES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-02-11 — — US claimed
US-20100035866-A1 NOVEL SUBSTITUTED-1, 1-DIOXO-BENZO[1,2,4]THIADIAZIN-3ONES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-02-11 — — US disclosed
US-20100035866-A1 NOVEL SUBSTITUTED-1, 1-DIOXO-BENZO[1,2,4]THIADIAZIN-3ONES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-02-11 — — US disclosed
US-20100035866-A1 NOVEL SUBSTITUTED-1, 1-DIOXO-BENZO[1,2,4]THIADIAZIN-3ONES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-02-11 — — 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-20100035866-A1 NOVEL SUBSTITUTED-1, 1-DIOXO-BENZO[1,2,4]THIADIAZIN-3ONES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME OPRD1, HTR6, HTR1D HTR3E 33/4885HTR3B 7/4885HTR3A 23/4885

“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.