SCHEMBL2093556

SCHEMBL2093556

[O]c1ccc2sc(N3CCC(Nc4ccc(OC(F)(F)C(F)(F)F)cc4)CC3)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.39
SCN9A Q15858 1/20 0.39
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 6/20 0.36
TP53 P04637 4/20 0.36
LMNA P02545 2/20 0.36
ACLY P53396 1/20 0.36
SMN1; SMN2 Q16637 6/20 0.35
PCSK9 Q8NBP7 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
ABL1 P00519 2/20 0.34
TMPRSS15 P98073 1/20 0.34
SCD O00767 1/20 0.34
MGLL Q99685 1/20 0.34
HTR6 P50406 2/20 0.33

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
SCHEMBL27666091 0.86 RAB9A (0.47) SCN4ASCN9ANPC1RAB9AMAPT
SCHEMBL2095624 0.85 SCN4A (0.54) SCN4ASCN9ANPC1RAB9AMAPT
SCHEMBL2096658 0.82 SCN4A (0.45) SCN4ASCN9ANPC1RAB9AACLY
SCHEMBL2091164 0.82 ACLY (0.46) NPC1RAB9AMAPTACLYSMN1; SMN2
SCHEMBL2091345 0.79 PCSK9 (0.40) NPC1RAB9AMAPTTP53LMNA
SCHEMBL27644927 0.78 SCN4A (0.50) SCN4ASCN9ANPC1RAB9AMAPT
SCHEMBL2095123 0.78 PCSK9 (0.42) SCN4ASCN9ANPC1RAB9AMAPT
SCHEMBL2097196 0.77 KDM4E (0.46) NPC1RAB9AMAPTTP53LMNA
SCHEMBL5543554 0.77 ALDH1A1 (0.38) MAPTALDH1A1ABL1
SCHEMBL2090772 0.76 NPC1 (0.41) NPC1RAB9AMAPTTP53LMNA

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 SCN4A 2625/4885SCN9A 3557/4885NPC1 3130/4885

“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.