SCHEMBL2090640

SCHEMBL2090640

NC1CCN(c2nc3ccc(O)cc3s2)CC1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.67
NPC1 O15118 10/20 0.52
RAB9A P51151 10/20 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
HTT P42858 3/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HRH3 Q9Y5N1 1/20 0.47
LMNA P02545 3/20 0.47
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
SCHEMBL334720 0.83 NPC1 (0.70) NPC1RAB9ASMN1; SMN2TP53MITF
SCHEMBL2090639 0.83 NPC1 (0.52) ARNPC1RAB9ASMN1; SMN2TP53
SCHEMBL14143675 0.80 SCN4A (0.52) ARNPC1RAB9ASMN1; SMN2TP53
SCHEMBL3468735 0.80 AR (0.70) ARNPC1RAB9ASMN1; SMN2TP53
SCHEMBL1656308 0.80 AR (1.00) ARNPC1RAB9ASMN1; SMN2TP53
SCHEMBL13279558 0.80 AR (0.70) ARNPC1RAB9ASMN1; SMN2TP53
SCHEMBL14143880 0.80 RAB9A (0.63) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL1095975 0.77 HRH3 (0.61) ARNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1095979 0.77 HRH3 (0.61) ARNPC1RAB9ASMN1; SMN2ALDH1A1
Iodide SCHEMBL9618056 0.77 AR (0.65) ARNPC1RAB9ASMN1; 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 3 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

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 AR 476/4885NPC1 3130/4885RAB9A 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.