SCHEMBL2094091

SCHEMBL2094091

Cn1c(-c2ccccc2)nc2cc([O])c(-c3ccccc3)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
F2 P00734 1/20 0.45
F10 P00742 1/20 0.45
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
PRSS1 P07477 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 4/20 0.44
PKM P14618 3/20 0.44
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 3/20 0.44
PDE10A Q9Y233 2/20 0.44
NPC1 O15118 2/20 0.44
TP53 P04637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL1104840 0.87 ATM (0.55) ATMHDAC1HDAC8HDAC6F2
SCHEMBL24295110 0.82 ATM (0.60) ATMHDAC1HDAC8HDAC6MEN1
SCHEMBL2092108 0.81 NLRP3 (0.62) MEN1KMT2AALDH1A1RAB9AKDM4E
SCHEMBL822540 0.79 KDM4E (0.66) ATMHDAC1HDAC8HDAC6MEN1
SCHEMBL2097109 0.78 HDAC1 (0.58) ATMHDAC1HDAC8HDAC6MEN1
SCHEMBL30060553 0.76 ATM (0.54) ATMHDAC1HDAC8HDAC6MEN1
SCHEMBL28395012 0.76 ATM (0.54) ATMHDAC1HDAC8HDAC6MEN1
SCHEMBL1104827 0.76 PDE10A (0.59) ATMHDAC1HDAC8HDAC6F2
SCHEMBL1104828 0.74 HDAC1 (0.64) ATMHDAC1HDAC8HDAC6MEN1
SCHEMBL1104834 0.74 NLRP3 (0.65) ATMHDAC1HDAC8HDAC6MEN1

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 3 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

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 ATM 4071/4885HDAC1 280/4885HDAC8 1199/4885

“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.