SCHEMBL2096540

SCHEMBL2096540

[O]Cc1ccc(-c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
APAF1 O14727 1/20 0.47
LMNA P02545 1/20 0.47
THRB P10828 1/20 0.47
XBP1 P17861 1/20 0.47
PTBP1 P26599 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
GALK1 P51570 1/20 0.47
BLM P54132 1/20 0.47
SMAD3 P84022 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTGS1 P23219 1/20 0.42
MAOA P21397 2/20 0.42

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
SCHEMBL2046924 0.85 DPP4 (0.52) MEN1NPC1MAPTKMT2ASMN1; SMN2
SCHEMBL2096544 0.81 PDCD1 (0.47) MEN1NPC1MAPTKMT2ASMN1; SMN2
SCHEMBL155695 0.78 DPP4 (0.60) KMT2AALDH1A1HPGDPTGER1PTGER4
SCHEMBL27625646 0.78 CYP11B1 (0.46) MEN1NPC1MAPTKMT2ASMN1; SMN2
SCHEMBL5595171 0.76 SMN1; SMN2 (0.40) MEN1NPC1MAPTKMT2ASMN1; SMN2
SCHEMBL29517344 0.76 HDAC1 (0.43) MEN1NPC1MAPTKMT2ASMN1; SMN2
SCHEMBL28541485 0.75 GABRA1 (0.47) MEN1NPC1MAPTKMT2ASMN1; SMN2
SCHEMBL2091701 0.75 EGFR (0.42) MEN1NPC1MAPTKMT2ASMN1; SMN2
SCHEMBL3031707 0.75 KMT2A (0.43) MEN1NPC1MAPTKMT2ASMN1; SMN2
SCHEMBL3031702 0.75 PTGS1 (0.46) MEN1NPC1MAPTKMT2ASMN1; SMN2

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 5 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
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 MEN1 4525/4885NPC1 3130/4885MAPT 4299/4885

“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.