SCHEMBL8798908

SCHEMBL8798908

O=[N+]([O-])c1ccc2sc(S(=O)(=O)Cl)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.44
CA2 P00918 2/20 0.43
CA5A P35218 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
PDK1 Q15118 1/20 0.40
MEN1 O00255 2/20 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
SCHEMBL12404107 0.84 SMN1; SMN2 (0.50) SMN1; SMN2KMT2APOLBLMNACYP1A2
SCHEMBL29055848 0.78 CA2 (0.45) KMT2AALDH1A1CA2TDP1MEN1
SCHEMBL2089536 0.75 CA2 (0.45) CA2KDM4E
SCHEMBL8801103 0.74 POLB (0.48) SMN1; SMN2KMT2APOLBLMNACYP1A2
SCHEMBL831282 0.74 SMN1; SMN2 (0.46) SMN1; SMN2KMT2APOLBLMNACYP1A2
SCHEMBL23612291 0.73 SMN1; SMN2 (0.55) SMN1; SMN2KMT2APOLBLMNACYP1A2
SCHEMBL13299927 0.73 SMN1; SMN2 (0.55) SMN1; SMN2KMT2APOLBLMNACYP1A2
SCHEMBL787824 0.73 AKR1B1 (0.52) LMNACYP1A2CA2NPC1
SCHEMBL18936029 0.73 SMN1; SMN2 (0.51) SMN1; SMN2KMT2APOLBLMNACYP1A2
SCHEMBL7258257 0.73 CA2 (0.44) KMT2ACA2RAB9ANPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2995617-B1 BENZOISOTHIAZOLE COMPOUNDS AND USE IN PREPARATION OF ANTIPSYCHOTIC DRUGS SHANGHAI INST PHARMACEUTICAL IND (CN) 2018-01-31 EP disclosed
US-9550741-B2 Benzoisothiazole compounds and methods of treating schizophrenia SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2017-01-24 US disclosed
US-20160096811-A1 BENZOISOTHIAZOLE COMPOUNDS AND USE IN PREPARATION OF ANTIPSYCHOTIC DRUGS SHANAGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2016-04-07 US disclosed
EP-2995617-A1 BENZOISOTHIAZOLE COMPOUNDS AND USE IN PREPARATION OF ANTIPSYCHOTIC DRUGS Shanghai Institute of Pharmaceutical Industry (CN) 2016-03-16 EP disclosed
EP-0355827-B1 Hydantoin derivatives MOCHIDA PHARM CO LTD (JP) 1997-01-02 EP disclosed
US-RE35279-E ALDOSE REDUCTASE INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1996-06-18 US disclosed
US-5202339-A Hypoglycemic, hypolipedemic agents MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1993-04-13 US disclosed
US-5004751-A Antidiabetic agents; aldoe reductase inhibitors MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1991-04-02 US disclosed
US-4914099-A TREATMENT OR PREVENTION OF DIABETIC COMPLICATIONS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1990-04-03 US disclosed
WO-1990002126-A1 HYDANTOIN DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1990-03-08 WO disclosed
EP-0355827-A2 Hydantoin derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP disclosed
WO-1989001934-A1 HYDANTOIN DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1989-03-09 WO disclosed
EP-0305947-A1 Hydantoin derivatives, process for their preparation and pharmaceutical compositions containing the same as well as their use MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1989-03-08 EP 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-20160096811-A1 BENZOISOTHIAZOLE COMPOUNDS AND USE IN PREPARATION OF ANTIPSYCHOTIC DRUGS HTR3A, SLC6A3, HTR5A SMN1; SMN2 2750/4885KMT2A 1374/4885POLB 3186/4885

“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.