SCHEMBL2095435

SCHEMBL2095435

CN(c1ccccc1)C1CCN(c2nc3cccc([O])c3s2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.44
SCD O00767 1/20 0.38
RAB9A P51151 11/20 0.38
NPC1 O15118 9/20 0.38
SMN1; SMN2 Q16637 7/20 0.37
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
TSHR P16473 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 2/20 0.37
MAPK1 P28482 1/20 0.37
MITF O75030 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
NAAA Q02083 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL2095438 0.88 HRH1 (0.44) HRH1SCDRAB9ANPC1SMN1; SMN2
SCHEMBL2096689 0.88 CYP2D6 (0.39) HRH1SCDRAB9ANPC1SMN1; SMN2
SCHEMBL27666199 0.83 RAB9A (0.53) HRH1SCDRAB9ANPC1SMN1; SMN2
SCHEMBL2090125 0.81 ALDH1A1 (0.39) HRH1SCDRAB9ANPC1SMN1; SMN2
SCHEMBL2096693 0.74 CHEK2 (0.46) HRH1SCDRAB9ANPC1SMN1; SMN2
SCHEMBL2093094 0.72 NPC1 (0.43) SCDRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2091744 0.72 SCD (0.49) SCDRAB9ANPC1MAPTPOLB
SCHEMBL2094618 0.71 MAPT (0.46) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL2093398 0.71 GRM5 (0.50) HRH1SMN1; SMN2MAPTTP53TSHR
SCHEMBL2096199 0.70 SMN1; SMN2 (0.46) HRH1SCDRAB9ANPC1SMN1; 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 HRH1 501/4885SCD 3633/4885RAB9A 3153/4885

“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.