SCHEMBL2096940

SCHEMBL2096940

[CH2]OC(=O)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
NPC1 O15118 1/20 0.64
CRHBP P24387 1/20 0.64
RAB9A P51151 1/20 0.64
CRHR2 Q13324 1/20 0.64
TGM2 P21980 1/20 0.63
PGR P06401 1/20 0.62
FAAH O00519 1/20 0.59
RNF4 P78317 1/20 0.58
ALDH1A1 P00352 2/20 0.57
PNLIP P16233 1/20 0.55
EPHX1 P07099 2/20 0.54
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.51

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
SCHEMBL514783 0.85 SMN1; SMN2 (0.56) HPGDSMN1; SMN2NPC1RAB9ATGM2
SCHEMBL2096943 0.84 SMN1; SMN2 (1.00) HPGDSMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL21295428 0.84 SMN1; SMN2 (0.74) HPGDSMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL2091277 0.82 HPGD (0.50) HPGDSMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL2092940 0.81 PTPN1 (0.58) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4653369 0.81 HPGD (0.70) HPGDSMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL30053559 0.81 CA12 (0.73) HPGDSMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL9268642 0.80 ALDH1A1 (0.72) HPGDSMN1; SMN2NPC1CRHBPRAB9A
SCHEMBL21295380 0.79 CA12 (0.71) HPGDSMN1; SMN2RAB9ATGM2PGR
SCHEMBL9091689 0.78 RAB9A (1.00) HPGDSMN1; SMN2NPC1CRHBPRAB9A

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 HPGD 1951/4885SMN1; SMN2 3787/4885NPC1 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.