SCHEMBL2096558

SCHEMBL2096558

[O]c1ccc(N2CCC(Cc3cccc(C(F)(F)F)c3)CC2)c2ncsc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.41
HRH3 Q9Y5N1 1/20 0.39
HTR6 P50406 1/20 0.39
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAOB P27338 1/20 0.37
RPS6KB1 P23443 1/20 0.37
MGLL Q99685 3/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TRPV1 Q8NER1 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
SCHEMBL2096561 0.89 MGLL (0.41) KCNN4HRH3HTR6TSHRKMT2A
SCHEMBL5013289 0.84 KDM4E (0.48) KCNN4HTR6KDM4E
SCHEMBL27645199 0.84 HRH3 (0.41) KCNN4HRH3HTR6KDM4EMAOB
SCHEMBL2095145 0.81 TP53 (0.46) KMT2ALPLLIPGKDM4ESLC6A2
SCHEMBL27666219 0.77 HTR1A (0.38) KCNN4HRH3HTR6MAOBRPS6KB1
SCHEMBL2095863 0.76 EPHX2 (0.38)
SCHEMBL2098699 0.76 HRH3 (0.34) KCNN4HRH3MGLL
SCHEMBL2092069 0.74 CTSB (0.38) HTR6TSHRKMT2AKDM4EMGLL
SCHEMBL5013297 0.73 GAA (0.48) KCNN4HTR6KDM4E
SCHEMBL2090832 0.72 ADRB2 (0.49) HRH3HTR6KDM4EMGLL

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 KCNN4 4035/4885HRH3 538/4885HTR6 3530/4885

“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.