SCHEMBL2092192

SCHEMBL2092192

Cc1noc(-c2ccc(C)c(C)c2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
ACHE P22303 2/20 0.59
TP53 P04637 2/20 0.53
MAPT P10636 2/20 0.53
S1PR1 P21453 6/20 0.52
S1PR3 Q99500 1/20 0.52
LMNA P02545 1/20 0.49
THRB P10828 1/20 0.49
BCHE P06276 1/20 0.48
HTR1A P08908 1/20 0.46
HTR2C P28335 1/20 0.46
PDK2 Q15119 1/20 0.46
MAPK14 Q16539 1/20 0.45
NOTUM Q6P988 1/20 0.45
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
LRRK2 Q5S007 1/20 0.42

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
SCHEMBL6498095 0.85 ACHE (0.56) NPC1RAB9AACHETP53MAPT
SCHEMBL1233610 0.85 ACHE (0.56) NPC1RAB9AACHETP53MAPT
SCHEMBL27436286 0.84 ACHE (0.64) NPC1RAB9AACHETP53MAPT
SCHEMBL12586444 0.84 ACHE (0.54) NPC1RAB9AACHETP53MAPT
SCHEMBL12112410 0.84 ACHE (0.54) NPC1RAB9AACHETP53MAPT
SCHEMBL1628971 0.84 S1PR1 (0.58) NPC1RAB9AACHETP53MAPT
SCHEMBL10120647 0.84 NPC1 (0.66) NPC1RAB9AACHETP53MAPT
SCHEMBL30955218 0.84 ACHE (0.64) NPC1RAB9AACHETP53MAPT
SCHEMBL13415305 0.83 ACHE (0.80) NPC1RAB9AACHETP53MAPT
SCHEMBL2092190 0.81 NPC1 (0.59) NPC1RAB9AACHETP53MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
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
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 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 (2 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 3153/4885ACHE 4734/4885
US-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 NPC1 509/4885RAB9A 2385/4885ACHE 4817/4885

“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.