SCHEMBL2095362

SCHEMBL2095362

Oc1cc(N2CCC(Cc3ccccc3)C(Cc3ccccc3)C2)nc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.42
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
PDE10A Q9Y233 2/20 0.39
KDM4E B2RXH2 6/20 0.39
GAA P10253 4/20 0.39
MAPT P10636 1/20 0.38
ACHE P22303 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 1/20 0.37
HPGD P15428 3/20 0.37
PKM P14618 1/20 0.37
POLB P06746 1/20 0.37
ALOX12 P18054 1/20 0.37
ADRB1 P08588 1/20 0.36
NCF1 P14598 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR3A P46098 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL2095360 0.86 HRH4 (0.42) HRH4PDE10AKDM4EGAAACHE
SCHEMBL2096494 0.84 ESR1 (0.54) ESR1ESR2PDE10AKDM4EMAPT
SCHEMBL27666226 0.83 PDE10A (0.54) HRH4PDE10AKDM4EALDH1A1HPGD
SCHEMBL2093631 0.75 GRIN1 (0.48) ESR1ESR2PDE10AKDM4EMAPT
SCHEMBL2091048 0.74 KDM4E (0.41) KDM4EGAAMAPTACHEL3MBTL1
SCHEMBL8249581 0.73 KDM4E (0.67) KDM4EGAAACHEL3MBTL1ALDH1A1
SCHEMBL2093153 0.72 KDM4E (0.47) KDM4EGAAMAPTACHEL3MBTL1
SCHEMBL27666020 0.71 RAB9A (0.56) PDE10AGAAMAPTALDH1A1KMT2A
SCHEMBL2096492 0.69 TSHR (0.49) ESR1ESR2PDE10AKDM4EGAA
SCHEMBL2091076 0.69 MAPT (0.40) MAPTL3MBTL1ALDH1A1KMT2AHPGD

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 HRH4 360/4885ESR1 1871/4885ESR2 338/4885

“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.