SCHEMBL2096689

SCHEMBL2096689

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.39
HRH1 P35367 3/20 0.39
KCNH2 Q12809 3/20 0.39
SCD O00767 1/20 0.39
NPC1 O15118 9/20 0.38
RAB9A P51151 9/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 2/20 0.37
NPSR1 Q6W5P4 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
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NAAA Q02083 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
SCHEMBL2095435 0.88 HRH1 (0.44) CYP2D6HRH1SCDNPC1RAB9A
SCHEMBL2096693 0.86 CHEK2 (0.46) CYP2D6HRH1KCNH2SCDNPC1
SCHEMBL2090125 0.81 ALDH1A1 (0.39) CYP2D6HRH1KCNH2SCDNPC1
SCHEMBL27644677 0.79 RAB9A (0.58) CYP2D6SCDNPC1RAB9ASMN1; SMN2
SCHEMBL18641188 0.76 ALDH1A1 (0.62) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL2095438 0.76 HRH1 (0.44) CYP2D6HRH1SCDNPC1RAB9A
SCHEMBL2094618 0.75 MAPT (0.46) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL2096199 0.74 SMN1; SMN2 (0.46) CYP2D6HRH1SCDNPC1RAB9A
SCHEMBL2091744 0.73 SCD (0.49) SCDNPC1RAB9AMAPTPOLB
SCHEMBL2093094 0.73 NPC1 (0.43) SCDNPC1RAB9ASMN1; SMN2TP53

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 CYP2D6 743/4885HRH1 501/4885KCNH2 3121/4885

“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.