SCHEMBL2093317

SCHEMBL2093317

COc1ccc(-c2ccc3nc[nH]c3c2)cc1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.75
QPCT Q16769 12/20 0.58
QPCTL Q9NXS2 7/20 0.58
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
KMT2A Q03164 1/20 0.56
KDM4E B2RXH2 1/20 0.52
PDPK1 O15530 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ABCB1 P08183 1/20 0.49

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
SCHEMBL28292532 0.87 MMP12 (0.60) MMP12QPCTQPCTLNPC1RAB9A
SCHEMBL225932 0.86 MMP12 (1.00) MMP12QPCTQPCTLNPC1RAB9A
SCHEMBL29424791 0.86 MMP12 (1.00) MMP12QPCTQPCTLNPC1RAB9A
SCHEMBL28294180 0.86 MMP12 (0.69) MMP12QPCTQPCTLALDH1A1
SCHEMBL8634290 0.84 QPCT (0.68) MMP12QPCTQPCTLNPC1RAB9A
SCHEMBL2093316 0.83 MMP12 (0.56) MMP12QPCTQPCTLNPC1RAB9A
SCHEMBL6869415 0.80 ACVR1 (0.63) MMP12NPC1RAB9AKDM4EPDPK1
SCHEMBL2462345 0.79 QPCT (0.68) QPCTQPCTLNPC1RAB9AKDM4E
Benzimidazole SCHEMBL15413095 0.79 MMP12 (0.84) MMP12QPCTQPCTLNPC1RAB9A
SCHEMBL38665709 0.77 QPCT (0.66) MMP12QPCTQPCTLNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106866543-B A method of benzimidazole compound is catalyzed and synthesized under microwave radiation in water phase 福建医科大学 2019-05-14 CN 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
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 MMP12 3540/4885QPCT 731/4885QPCTL 2317/4885

“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.