SCHEMBL3489612

SCHEMBL3489612

COc1cccc(N2C(=O)N(Cc3ccccc3)c3cc(Cl)cc(N4CCNCC4)c3S2(=O)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
ADRB1 P08588 1/20 0.44
MAPT P10636 7/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HTR6 P50406 3/20 0.41
HTR1A P08908 2/20 0.41
HTR7 P34969 2/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
HTR3A P46098 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
TSHR P16473 1/20 0.40
CMA1 P23946 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
SCHEMBL3490715 0.92 HTT (0.51) HCRTR1HCRTR2ADRB1MAPTGAA
SCHEMBL3490201 0.91 HCRTR1 (0.47) HCRTR1HCRTR2MAPTGAAHTT
SCHEMBL3490544 0.90 MAPT (0.45) HCRTR1HCRTR2ADRB1MAPTHTT
SCHEMBL3490336 0.88 CMA1 (0.44) GAALMNATP53HTR6SLC6A2
SCHEMBL3490332 0.86 HCRTR1 (0.47) HCRTR1HCRTR2ADRB1MAPTLMNA
SCHEMBL3489534 0.85 HCRTR1 (0.52) HCRTR1HCRTR2MAPTGAAHTT
SCHEMBL3490431 0.84 HTR3A (0.42) MAPTGAAHTTLMNAHTR6
SCHEMBL3489218 0.83 HTT (0.52) HCRTR1HCRTR2MAPTGAAHTT
SCHEMBL3489321 0.81 HTR3E (0.43) HCRTR1HCRTR2ADRB1MAPTLMNA
SCHEMBL3488683 0.81 MAPT (0.48) HCRTR1HCRTR2MAPTGAAHTT

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 HCRTR1 131/4885HCRTR2 138/4885ADRB1 51/4885

“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.