SCHEMBL5536780

SCHEMBL5536780

Brc1cccc2c[c]sc12

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.34
BACE1 P56817 1/20 0.32
NOS1 P29475 1/20 0.32
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL445707 0.76 CA12 (0.31) CA12CA9
SCHEMBL533360 0.76 CYP1A2 (0.38) PSMB8NOS1CA12CA9
SCHEMBL9624769 0.76 CYP1A2 (0.38) CA12
SCHEMBL533694 0.72 CA2 (0.41) CA12CA9
SCHEMBL5865972 0.71 ALDH1A1 (0.46)
SCHEMBL16289528 0.71 ALDH1A1 (0.33)
SCHEMBL16289874 0.71 CA1 (0.39)
SCHEMBL21295664 0.71 ALDH1A1 (0.39) BACE1
SCHEMBL16289548 0.71 CYP1A1 (0.31)
SCHEMBL693660 0.71 HDAC3 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3176163-B1 NOVEL INDENE DERIVATIVE, PREPARATION METHOD FOR SAME, AND PHARMACEUTICAL COMPOSITION, FOR PREVENTING OR TREATING RETINAL DISEASES, CONTAINING SAME AS ACTIVE INGREDIENT IAC IN NAT UNIV CHUNGNAM (KR) 2019-04-17 EP claimed
CN-116640152-A Benzothiophene pyridine derivative and synthesis method thereof 西安欧得光电材料有限公司 2023-08-25 CN disclosed
EP-3176163-B1 NOVEL INDENE DERIVATIVE, PREPARATION METHOD FOR SAME, AND PHARMACEUTICAL COMPOSITION, FOR PREVENTING OR TREATING RETINAL DISEASES, CONTAINING SAME AS ACTIVE INGREDIENT IAC IN NAT UNIV CHUNGNAM (KR) 2019-04-17 EP disclosed
US-20160075653-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES BAYER ANIMAL HEALTH GMBH (DE) 2016-03-17 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 PSMB8 2916/4885BACE1 3399/4885NOS1 553/4885
US-20160075653-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES DNPH1, AADAC, NAAA PSMB8 1385/4885BACE1 3645/4885NOS1 2710/4885

“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.