SCHEMBL11067971

SCHEMBL11067971

Oc1nc2ccc(Br)cc2s1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.53
NPC1 O15118 7/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
DYRK1A Q13627 1/20 0.53
APP P05067 3/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 2/20 0.51
ALDH1A1 P00352 1/20 0.51
PPARA Q07869 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
ILK Q13418 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL11162902 0.91 RAB9A (0.47) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL18554384 0.84 DYRK1A (0.53) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL2098849 0.81 RAB9A (0.56) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL2217147 0.79 HTT (0.66) DYRK1AAPPMAPTHTTGAA
SCHEMBL4137369 0.78 PPARA (0.57) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL11691297 0.76 SMN1; SMN2 (0.61) RAB9ANPC1APPMAPTHTT
SCHEMBL141868 0.76 RAB9A (0.51) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL1853837 0.76 RAB9A (0.51) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL12844692 0.76 GFER (0.61) RAB9ANPC1DYRK1AAPPMAPT
SCHEMBL9883331 0.76 RAB9A (0.51) RAB9ANPC1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4298097-A1 BENZOTHIAZOLYL BICYCLO[1.1.1]PENTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2024-01-03 EP disclosed
US-20230391764-A1 BENZOTHIAZOLYL BICYCLO[1.1.1]PENTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-12-07 US disclosed
CN-116897155-A Benzothiazolyl bicyclo [1.1.1] pentane derivatives for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2023-10-17 CN disclosed
WO-2022180003-A1 BENZOTHIAZOLYL BICYCLO[1.1.1]PENTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-09-01 WO disclosed
EP-2739612-B1 COMPOUNDS AND COMPOSITIONS FOR USE IN AUGMENTATION OF GLUCOSE UPTAKE AND INSULIN SECRETION YISSUM RES DEV CO (IL) 2017-06-21 EP disclosed
US-9409904-B2 Compounds and compositions for use in augmentation of glucose YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2016-08-09 US disclosed
US-9409904-B2 Compounds and compositions for use in augmentation of glucose YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2016-08-09 US disclosed
US-20150025094-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN AUGMENTATION OF GLUCOSE YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2015-01-22 US disclosed
US-20150025094-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN AUGMENTATION OF GLUCOSE YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2015-01-22 US disclosed
WO-2009142842-A9 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2010-11-25 WO disclosed
WO-2009142842-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-26 WO disclosed
US-4474965-A PLANT GROWTH AGENTS MONSANTO COMPANY (US) 1984-10-02 US disclosed
EP-0007772-B1 N-SUBSTITUTED BENZOTHIAZOLINES AND BENZOXAZOLINES AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULANTS MONSANTO COMPANY (US) 1983-09-07 EP disclosed
US-4371388-A 3-Substituted aminoalkyl-2-benzothiazolinones as plant growth regulants MONSANTO COMPANY (US) 1983-02-01 US disclosed
US-4336060-A N-Substituted benzothiazolines and benzoxazolines and their use as herbicides and plant growth regulants MONSANTO COMPANY (US) 1982-06-22 US disclosed
US-4228292-A N-Substituted benzothiazolines and benzoxazolines and their use as herbicides and plant growth regulants MONSANTO COMPANY (US) 1980-10-14 US disclosed
EP-0007772-A1 N-substituted benzothiazolines and benzoxazolines and their use as herbicides and plant growth regulants MONSANTO COMPANY (US) 1980-02-06 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 (2 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-20150025094-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN AUGMENTATION OF GLUCOSE SLC5A2, SLC2A2, SLC2A1 RAB9A 4032/4885NPC1 846/4885CYP1A2 152/4885
US-20230391764-A1 BENZOTHIAZOLYL BICYCLO[1.1.1]PENTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, SLC10A1, BCL2A1 RAB9A 1769/4885NPC1 195/4885CYP1A2 69/4885

“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.