SCHEMBL10843641

SCHEMBL10843641

COc1cccc2s[nH]c(=O)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.54
▸ ABCG2 Q9UNQ0 1/20 0.45
▸ MAPT P10636 6/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ LMNA P02545 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ DDAH1 O94760 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ CACNA1B Q00975 1/20 0.44
▸ APBA1 Q02410 1/20 0.44
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ GAA P10253 1/20 0.41
▸ AR P10275 2/20 0.41
▸ PARP1 P09874 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ALOX15 P16050 1/20 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
SCHEMBL17272799 0.73 KDM4E (0.45) MAOAMAPTALDH1A1LMNAKDM4E
SCHEMBL10587136 0.73 MAPT (0.46) MAOAMAPTALDH1A1LMNAKDM4E
SCHEMBL8596062 0.72 ALDH1A1 (0.48) MAPTALDH1A1LMNAKDM4EDDAH1
SCHEMBL1710671 0.72 ALDH1A1 (0.48) MAPTALDH1A1LMNAKDM4EDDAH1
SCHEMBL605891 0.69 KDM4E (0.52) MAOAABCG2MAPTALDH1A1LMNA
SCHEMBL31568235 0.69 MAOA (0.40) MAOAMAPTALDH1A1LMNAKDM4E
SCHEMBL11570093 0.69 ALDH1A1 (0.42) MAPTALDH1A1LMNAKDM4EDDAH1
SCHEMBL1478515 0.68 ABCG2 (0.61) MAOAABCG2MAPTALDH1A1KDM4E
SCHEMBL29443518 0.68 ABCG2 (0.61) MAOAABCG2MAPTALDH1A1KDM4E
SCHEMBL10980881 0.68 PARP1 (0.49) MAPTALDH1A1LMNAKDM4EDDAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2949650-B1 Synthetic method for the preparation of 1,2-Benzisothiazolin-3-one SHOUGUANG SYNTECH FINE CHEMICAL CO LTD (CN) 2017-10-11 — — EP disclosed
US-9334248-B2 Synthetic method for the preparation of 1, 2-benzisothiazolin-3-one SHOUGUANG SYNTECH FINE CHEMICAL CO., LTD. (CN) 2016-05-10 — — US disclosed
EP-2949650-A1 Synthetic method for the preparation of 1,2-Benzisothiazolin-3-one Shouguang Syntech Fine Chemical Co., Ltd. (CN) 2015-12-02 — — EP disclosed
US-20150336910-A1 SYNTHETIC METHOD FOR THE PREPARATION OF 1, 2-BENZISOTHIAZOLIN-3-ONE SYNTECH EURO LIMITED (GB) 2015-11-26 — — US disclosed
US-4590196-A NON-OPIATE BRISTOL-MYERS COMPANY (US) 1986-05-20 — — 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-20150336910-A1 SYNTHETIC METHOD FOR THE PREPARATION OF 1, 2-BENZISOTHIAZOLIN-3-ONE TST, AQP1, BZW1 MAOA 2847/4885ABCG2 766/4885MAPT 3409/4885

“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.

Send feedback