SCHEMBL2097765

SCHEMBL2097765

[CH2]CCCCN1CCC(c2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.69
MEN1 O00255 1/20 0.69
TP53 P04637 1/20 0.69
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69
TSHR P16473 1/20 0.69
CYP2C19 P33261 1/20 0.69
KMT2A Q03164 1/20 0.69
SLC18A3 Q16572 2/20 0.63
DRD2 P14416 1/20 0.63
CARM1 Q86X55 1/20 0.58
PRMT6 Q96LA8 1/20 0.58
HTR7 P34969 2/20 0.56
KCNA3 P22001 1/20 0.54

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
SCHEMBL9434095 0.98 SIGMAR1 (0.70) SIGMAR1MEN1TP53CYP1A2CYP3A4
SCHEMBL3458641 0.95 SIGMAR1 (0.69) SIGMAR1MEN1TP53CYP1A2CYP3A4
SCHEMBL95814 0.88 SLC18A3 (0.69) SIGMAR1MEN1TP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7259165 0.86 SIGMAR1 (0.75) SIGMAR1MEN1TP53CYP1A2CYP3A4
SCHEMBL5729329 0.83 SIGMAR1 (0.69) SIGMAR1MEN1TP53CYP1A2CYP3A4
SCHEMBL11241313 0.83 SIGMAR1 (0.69) SIGMAR1MEN1TP53CYP1A2CYP3A4
SCHEMBL6591133 0.83 SLC18A3 (0.78) SIGMAR1MEN1TP53CYP1A2CYP3A4
SCHEMBL256656 0.83 DRD2 (0.78) SIGMAR1MEN1TP53CYP1A2CYP3A4
SCHEMBL7382438 0.83 SIGMAR1 (0.69) SIGMAR1MEN1TP53CYP1A2CYP3A4
SCHEMBL15779804 0.82 DRD2 (0.76) SIGMAR1MEN1TP53CYP1A2CYP3A4

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 SIGMAR1 161/4885MEN1 4525/4885TP53 4732/4885

“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.