SCHEMBL2097613

SCHEMBL2097613

[CH2]Cc1nc(-c2cccc(CCC)c2)no1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.53
▸ NPC1 O15118 6/20 0.53
▸ L3MBTL1 Q9Y468 5/20 0.53
▸ MAPK1 P28482 4/20 0.53
▸ TDP1 Q9NUW8 4/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ TSHR P16473 2/20 0.48
▸ HTT P42858 1/20 0.46
▸ SPHK2 Q9NRA0 5/20 0.44
▸ SPHK1 Q9NYA1 5/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ LMNA P02545 1/20 0.43

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
SCHEMBL2094536 0.82 PPARA (0.55) RAB9ANPC1L3MBTL1MAPK1TDP1
SCHEMBL31346653 0.81 RAB9A (0.56) RAB9ANPC1L3MBTL1MAPK1TDP1
SCHEMBL31346690 0.81 RAB9A (0.56) RAB9ANPC1L3MBTL1MAPK1TDP1
SCHEMBL13675222 0.78 RAB9A (0.57) RAB9ANPC1L3MBTL1MAPK1TDP1
Hydrochloric Acid SCHEMBL31346672 0.76 NPC1 (0.52) RAB9ANPC1L3MBTL1MAPK1TDP1
Hydrochloric Acid SCHEMBL31346671 0.76 NPC1 (0.52) RAB9ANPC1L3MBTL1MAPK1TDP1
SCHEMBL23894440 0.76 L3MBTL1 (0.54) RAB9ANPC1L3MBTL1MAPK1TDP1
SCHEMBL7977071 0.75 NOTUM (0.68) RAB9ANPC1L3MBTL1MAPK1TDP1
SCHEMBL26887342 0.75 SPHK1 (0.57) RAB9ANPC1L3MBTL1MAPK1TDP1
SCHEMBL31346685 0.74 RAB9A (0.53) RAB9ANPC1L3MBTL1MAPK1TDP1

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 RAB9A 3153/4885NPC1 3130/4885L3MBTL1 2575/4885

“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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