SCHEMBL2093639

SCHEMBL2093639

[CH2]c1ccc(-c2ccccc2)c(-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.44
▸ ALOX5 P09917 1/20 0.43
▸ ESR2 Q92731 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ HSD17B10 Q99714 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ BCL2L1 Q07817 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CSNK2A1 P68400 2/20 0.35
▸ PTGS2 P35354 4/20 0.35
▸ SMARCA2 P51531 1/20 0.34
▸ SMARCA4 P51532 1/20 0.34
▸ PBRM1 Q86U86 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ APAF1 O14727 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34

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
SCHEMBL27666121 0.81 ALOX5 (0.61) BACE1ALOX5ESR2ALDH1A1HSD17B10
SCHEMBL10829217 0.79 LMNA (0.46) BACE1ALOX5HPGDPTGS2MEN1
SCHEMBL27799681 0.79 BACE1 (0.62) BACE1ALOX5ESR2ALDH1A1HSD17B10
SCHEMBL4085993 0.79 CYP2A6 (0.54) BACE1ALOX5ESR2ALDH1A1HSD17B10
SCHEMBL11306284 0.79 CYP2A6 (0.54) BACE1ALOX5ESR2ALDH1A1HPGD
SCHEMBL27872678 0.79 HSD17B10 (0.54) BACE1ALOX5ESR2ALDH1A1HSD17B10
SCHEMBL28691954 0.76 PTPRC (0.39) ALDH1A1HSD17B10HPGDMAPK1MEN1
SCHEMBL2099508 0.75 BACE1 (0.44) BACE1ALOX5ESR2ALDH1A1HSD17B10
SCHEMBL3980737 0.74 PGR (0.43) BACE1ALOX5ESR2MEN1NPC1
SCHEMBL11608972 0.74 MAOA (0.49) ALDH1A1HSD17B10MAPK1MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104159927-A Hydrogenated aromatic alkenyl and diene copolymers containing comonomers that have silyl hydride units and functionalized analogues thereof DYNASOL ELASTOMEROS SA 2014-11-19 — — CN claimed
CN-104159927-A Hydrogenated aromatic alkenyl and diene copolymers containing comonomers that have silyl hydride units and functionalized analogues thereof DYNASOL ELASTOMEROS SA 2014-11-19 — — CN disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 — — US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 — — EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 — — 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
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 (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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 BACE1 3500/4885ALOX5 2338/4885ESR2 338/4885

“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.

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