SCHEMBL2090942

SCHEMBL2090942

[O]c1ccc2[nH]c(-c3ccccc3I)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.46
GBA1 P04062 1/20 0.46
RAB9A P51151 10/20 0.43
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 6/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
HPGD P15428 5/20 0.43
NPSR1 Q6W5P4 3/20 0.43
HSD17B10 Q99714 3/20 0.43
PKM P14618 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
KDR P35968 2/20 0.42
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
ATM Q13315 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
SCHEMBL3336641 0.80 NPC1 (0.64) NPC1GBA1RAB9AALDH1A1KDM4E
SCHEMBL2091998 0.78 NPC1 (0.62) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL7136331 0.72 NPC1 (0.51) NPC1GBA1RAB9AALDH1A1KDM4E
SCHEMBL2090932 0.72 NPBWR1 (0.55) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL8593391 0.71 HPGD (0.48) NPC1GBA1RAB9AALDH1A1KDM4E
SCHEMBL10070221 0.69 TGFB2 (0.44) ALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL4495899 0.69 AMY1A (0.53) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL30863444 0.69 ALDH1A1 (0.57) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL4496081 0.69 ALDH1A1 (0.57) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL28000880 0.69 GUSB (0.68) NPC1RAB9AALDH1A1KDM4EHPGD

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 3130/4885GBA1 3809/4885RAB9A 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.