SCHEMBL290849

SCHEMBL290849

Nc1nsc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 1.00
MAPT P10636 3/20 1.00
ALDH1A1 P00352 2/20 1.00
HSD17B10 Q99714 1/20 1.00
TLR4 O00206 1/20 0.50
EPAS1 Q99814 9/20 0.47
PDPK1 O15530 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
LIMK1 P53667 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
GPR3 P46089 1/20 0.40
EPHX2 P34913 1/20 0.39
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38

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
SCHEMBL29432549 1.00 KDM4E (1.00) KDM4EMAPTALDH1A1HSD17B10TLR4
Hydrochloric Acid SCHEMBL28576260 0.98 KDM4E (0.95) KDM4EMAPTALDH1A1HSD17B10TLR4
Hydrochloric Acid SCHEMBL28576259 0.98 KDM4E (0.95) KDM4EMAPTALDH1A1HSD17B10TLR4
SCHEMBL11510669 0.88 KDM4E (0.78) KDM4EMAPTALDH1A1HSD17B10TLR4
SCHEMBL329569 0.76 MAPT (0.61) KDM4EMAPTALDH1A1HSD17B10EPAS1
SCHEMBL28563540 0.75 MAPT (0.60) KDM4EMAPTALDH1A1HSD17B10EPAS1
SCHEMBL30987223 0.75 MAPT (0.60) KDM4EMAPTALDH1A1HSD17B10EPAS1
SCHEMBL11704181 0.73 MAPT (0.57) KDM4EMAPTALDH1A1HSD17B10TLR4
SCHEMBL6825021 0.73 MAPT (0.57) KDM4EMAPTALDH1A1HSD17B10TLR4
SCHEMBL3995672 0.73 MAPT (0.57) KDM4EMAPTALDH1A1HSD17B10EPAS1

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 374 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114940834-A Alkali-resistant azo disperse dye and preparation method and application thereof 江南大学 2022-08-26 CN claimed
EP-3606921-B1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA. INVENTIVA (FR) 2022-06-01 EP claimed
CN-108084110-B 3-aminobenzo [ d ] isothiazole, derivative and synthetic method thereof 湘潭大学 2021-05-07 CN claimed
EP-2064196-B1 3-AMINO-1,2-BENZISOTHIAZOLE COMPOUNDS FOR COMBATING ANIMAL PEST II BASF SE (DE) 2012-03-14 EP claimed
US-8017554-B2 3-amino-1,2-benzisothiazole compounds for combating animal pest BASF SE (DE) 2011-09-13 US claimed
US-20100167922-A1 3-Amino-1,2-benzisothiazole Compounds for Combating Animal Pest BASF SE (DE) 2010-07-01 US claimed
EP-2123159-A1 (1,2-Benzisothiazol-3-yl)(thio)carbamates and (1,2-Benzisothiazol-3-yl)(thio)oxamates and their oxidation forms as pesticides Bayer CropScience AG (DE) 2009-11-25 EP claimed
EP-2003975-B1 3-AMINO-1,2-BENZISOTHIAZOLE COMPOUNDS FOR COMBATING ANIMAL PEST BASF SE (DE) 2009-11-18 EP claimed
EP-2064196-A2 3-AMINO-1,2-BENZISOTHIAZOLE COMPOUNDS FOR COMBATING ANIMAL PEST II BASF Aktiengesellschaft (DE) 2009-06-03 EP claimed
EP-2003975-A1 3-AMINO-1,2-BENZISOTHIAZOLE COMPOUNDS FOR COMBATING ANIMAL PEST BASF SE (DE) 2008-12-24 EP claimed
US-4496727-A ORGANIC PIGMENTS; PLASTICS; LACQUERS; INKS; COATINGS; COLOR FASTNESS CIBA-GEIGY CORPORATION (US) 1985-01-29 US claimed
EP-0095638-A1 2,6-Dicyanoanilines BAYER AG (DE) 1983-12-07 EP claimed
EP-0038458-B1 4-HYDROXY-1,2-BENZISOTHIAZOL-3(2H)-ONE-1,1-DIOXIDE, THEIR SALTS, THEIR PREPARATION AND THEIR UTILIZATION Dr. Karl Thomae GmbH (DE) 1983-09-21 EP claimed
US-4385174-A FOR PIGMENTS CIBA-GEIGY CORPORATION (US) 1983-05-24 US claimed
US-4349671-A Process for the production of metal complexes of isoindoline azines CIBA-GEIGY CORPORATION (US) 1982-09-14 US claimed
US-4313872-A MONDAZO AND DISAZO DYES CASSELLA AKTIENGESELLSCHAFT (DE) 1982-02-02 US claimed
US-4242495-A COATINGS, MOLDINGS, FOAMS THE FIRESTONE TIRE & RUBBER COMPANY (US) 1980-12-30 US claimed
US-4140692-A Manufacture of 3-amino-1,2-benzisothiazoles BASF AKTIENGESELLSCHAFT (DE) 1979-02-20 US claimed
US-4028323-A WITH A SUBSTITUTED AMINOBENZENE CIBA-GEIGY AG (CH) 1977-06-07 US claimed
US-3998894-A DIMERIZATION AND CYCLIZATION OF A STYRENE AND A HAL GENO-STYRENE BASF AKTIENGESELLSCHAFT (DT) 1976-12-21 US claimed

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-20100167922-A1 3-Amino-1,2-benzisothiazole Compounds for Combating Animal Pest BPNT1, AADAT, BCAT1 KDM4E 1001/4885MAPT 2199/4885ALDH1A1 429/4885

“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.