SCHEMBL2092087

SCHEMBL2092087

COc1ccccc1-c1c(F)cc(F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.50
ALDH1A1 P00352 6/20 0.45
HSD17B10 Q99714 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HPGD P15428 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
KDM4E B2RXH2 3/20 0.44
TSHR P16473 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44

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
SCHEMBL4236343 0.84 APP (0.53) APPALDH1A1RAB9AMEN1KMT2A
SCHEMBL10227251 0.82 APP (0.55) APPALDH1A1HPGDRAB9AMEN1
SCHEMBL24589302 0.81 APP (0.47) APPALDH1A1HSD17B10NPSR1HPGD
SCHEMBL2092085 0.81 CYP1A2 (0.34) ALDH1A1HSD17B10NPSR1HPGDRAB9A
SCHEMBL11865786 0.81 MAPK14 (0.52) APPALDH1A1HSD17B10NPSR1HPGD
SCHEMBL20725471 0.79 DPP4 (0.45) APPALDH1A1HPGDRAB9AMEN1
SCHEMBL14264233 0.78 PTPRC (0.50) APPRAB9ACA12CA1CA2
SCHEMBL1638395 0.78 APP (0.50) APPALDH1A1HSD17B10NPSR1HPGD
SCHEMBL24589022 0.78 MAP2 (0.46) APPALDH1A1HSD17B10NPSR1HPGD
SCHEMBL24589023 0.78 MAP2 (0.46) APPALDH1A1HSD17B10NPSR1HPGD

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 APP 4602/4885ALDH1A1 412/4885HSD17B10 363/4885

“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.