SCHEMBL3489633

SCHEMBL3489633

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 7/20 0.48
HCRTR1 O43613 5/20 0.48
MAPT P10636 4/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
P2RX7 Q99572 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
EP300 Q09472 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL3491856 0.88 MAPT (0.43) HCRTR2HCRTR1MAPTALDH1A1TP53
SCHEMBL3489746 0.87 MAPT (0.43) HCRTR2HCRTR1MAPTTP53LMNA
SCHEMBL3489133 0.87 F2 (0.42) HCRTR2HCRTR1MAPTALDH1A1TP53
SCHEMBL3488417 0.86 HCRTR1 (0.43) HCRTR2HCRTR1MAPTALDH1A1KDM4E
SCHEMBL3488978 0.86 HTT (0.46) HCRTR2HCRTR1MAPTALDH1A1TP53
SCHEMBL3488910 0.85 CA12 (0.41) HCRTR2HCRTR1MAPTTP53LMNA
SCHEMBL3488952 0.85 CA12 (0.41) HCRTR2HCRTR1MAPTALDH1A1TP53
SCHEMBL3489321 0.85 HTR3E (0.43) HCRTR2HCRTR1MAPTALDH1A1KDM4E
SCHEMBL3489196 0.84 CMA1 (0.51) HCRTR2HCRTR1MAPTALDH1A1KDM4E
SCHEMBL3489094 0.84 HCRTR2 (0.53) HCRTR2HCRTR1MAPTTP53GAA

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-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 HCRTR2 138/4885HCRTR1 131/4885MAPT 2158/4885

“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.