SCHEMBL2094070

SCHEMBL2094070

COCc1noc(-c2ccccc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.62
SMN1; SMN2 Q16637 8/20 0.59
NPC1 O15118 8/20 0.59
RAB9A P51151 8/20 0.59
ALDH1A1 P00352 4/20 0.59
MAPT P10636 3/20 0.59
KDM4E B2RXH2 2/20 0.59
PKM P14618 1/20 0.59
HPGD P15428 1/20 0.59
HSD17B10 Q99714 1/20 0.59
LMNA P02545 1/20 0.56
NR1H4 Q96RI1 3/20 0.52
S1PR1 P21453 1/20 0.51
FFAR1 O14842 1/20 0.51
SMPD1 P17405 1/20 0.51
TP53 P04637 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTT P42858 1/20 0.49
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47

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
SCHEMBL5334470 0.83 ACHE (0.56) NOTUMSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13046 0.83 RAB9A (0.56) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL91656 0.80 SMN1; SMN2 (0.70) NOTUMSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3434024 0.80 NOTUM (0.54) NOTUMSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL12449556 0.79 CCR6 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL21776935 0.78 NOTUM (0.70) NOTUMSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7404351 0.78 L3MBTL1 (0.45) NOTUMSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL12944911 0.77 NPC1 (0.54) NOTUMSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10202824 0.77 NOTUM (0.51) NOTUMSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL19075353 0.77 NOTUM (0.51) NOTUMSMN1; SMN2NPC1RAB9AALDH1A1

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-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
US-20070265289-A1 2-Aminopyrimidine Derivative ASTELLAS PHARMA INC. (JP) 2007-11-15 US disclosed
US-20070265289-A1 2-Aminopyrimidine Derivative ASTELLAS PHARMA INC. (JP) 2007-11-15 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 NOTUM 4043/4885SMN1; SMN2 3787/4885NPC1 3130/4885
US-20070265289-A1 2-Aminopyrimidine Derivative NFKBIA, IKBKG, NFKB2 NOTUM 2983/4885SMN1; SMN2 3452/4885NPC1 4389/4885

“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.