SCHEMBL2095748

SCHEMBL2095748

[CH2]C=Cc1ccccc1SC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.47
▸ BACE1 P56817 1/20 0.44
▸ ABCB1 P08183 2/20 0.41
▸ PTGES2 Q9H7Z7 1/20 0.41
▸ CYP1A1 P04798 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP1B1 Q16678 2/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NISCH Q9Y2I1 1/20 0.30
▸ NFE2L2 Q16236 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL2095746 1.00 ALOX5 (0.47) ALOX5BACE1ABCB1PTGES2CYP1A1
SCHEMBL10060043 0.80 ALOX5 (0.49) ALOX5BACE1ABCB1PTGES2CYP1A1
SCHEMBL20099354 0.79 ALOX5 (0.45) ALOX5BACE1ABCB1PTGES2CYP1A1
SCHEMBL28624981 0.78 ALOX5 (0.47) ALOX5BACE1ABCB1PTGES2CYP1A1
SCHEMBL7318894 0.78 BACE1 (0.32) ALOX5BACE1ALDH1A1KDM4ELMNA
SCHEMBL7318891 0.78 BACE1 (0.32) ALOX5BACE1ALDH1A1KDM4ELMNA
SCHEMBL2563056 0.77 ALDH1A1 (0.44) ALOX5BACE1ABCB1PTGES2CYP1A1
SCHEMBL20005510 0.75 CDK4 (0.52) ALOX5BACE1ABCB1PTGES2CYP1A1
SCHEMBL4800076 0.75 ALOX5 (0.43) ALOX5BACE1ABCB1PTGES2CYP1A1
SCHEMBL173014 0.73 LMNA (0.55) ALOX5BACE1ABCB1PTGES2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 ALOX5 2338/4885BACE1 3500/4885ABCB1 2232/4885

“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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