SCHEMBL2091799

SCHEMBL2091799

O=C(Nc1ccc(Br)cc1)N1CCC[N]CC1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.72
NPC1 O15118 5/20 0.72
SMN1; SMN2 Q16637 4/20 0.72
ALDH1A1 P00352 2/20 0.72
THRB P10828 1/20 0.53
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
KDM4E B2RXH2 1/20 0.50
TGM2 P21980 1/20 0.49
FAAH O00519 1/20 0.48
GAA P10253 1/20 0.47
CCR2 P41597 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL31637520 0.86 RAB9A (0.96) RAB9ANPC1SMN1; SMN2ALDH1A1THRB
SCHEMBL2089614 0.85 LMNA (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL2093395 0.85 RAB9A (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1THRB
SCHEMBL2096525 0.85 RAB9A (0.72) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL14413756 0.84 RAB9A (1.00) RAB9ANPC1SMN1; SMN2ALDH1A1THRB
SCHEMBL30014222 0.82 RAB9A (0.83) RAB9ANPC1SMN1; SMN2ALDH1A1THRB
SCHEMBL2094189 0.82 SMN1; SMN2 (0.74) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL2097739 0.82 MAPT (0.59) KMT2AKDM4EFAAH
SCHEMBL2097729 0.79 RAB9A (0.74) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL2093466 0.79 EPHX2 (0.76) SMN1; 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 RAB9A 3153/4885NPC1 3130/4885SMN1; SMN2 3787/4885

“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.