SCHEMBL2090639

SCHEMBL2090639

NC1CCN(c2nc3ccc([O])cc3s2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.52
RAB9A P51151 11/20 0.52
SMN1; SMN2 Q16637 8/20 0.52
TP53 P04637 5/20 0.52
MITF O75030 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
MAPT P10636 6/20 0.49
ALDH1A1 P00352 3/20 0.49
HTT P42858 2/20 0.49
GAA P10253 1/20 0.49
LMNA P02545 3/20 0.47
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
AR P10275 1/20 0.46
MAPK1 P28482 1/20 0.46
STAT3 P40763 1/20 0.44

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
SCHEMBL2090640 0.83 AR (0.67) NPC1RAB9ASMN1; SMN2TP53MITF
SCHEMBL334720 0.83 NPC1 (0.70) NPC1RAB9ASMN1; SMN2TP53MITF
SCHEMBL14143675 0.80 SCN4A (0.52) NPC1RAB9ASMN1; SMN2TP53MITF
SCHEMBL1656708 0.80 RAB9A (0.70) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL14143880 0.80 RAB9A (0.63) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL2095037 0.79 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2TP53MITF
SCHEMBL2095913 0.78 TP53 (0.50) NPC1RAB9ASMN1; SMN2TP53MITF
SCHEMBL2097447 0.78 TP53 (0.48) NPC1RAB9ASMN1; SMN2TP53MITF
SCHEMBL2095127 0.77 TP53 (0.53) NPC1RAB9ASMN1; SMN2TP53MITF
SCHEMBL21588478 0.76 NPC1 (0.72) NPC1RAB9ASMN1; SMN2TP53MITF

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 NPC1 3130/4885RAB9A 3153/4885SMN1; 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.