SCHEMBL2091121

SCHEMBL2091121

Cc1cc(OCO)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ RAB9A P51151 3/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HPGD P15428 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ MAOB P27338 2/20 0.37
▸ AOC3 Q16853 1/20 0.37
▸ MMP13 P45452 2/20 0.36
▸ PPARG P37231 2/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ FKBP1A P62942 1/20 0.36
▸ TP53 P04637 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
SCHEMBL8257779 0.85 CYP3A4 (0.45) HTR2ASLC6A4KCNH2MCL1MMP13
SCHEMBL8437066 0.83 TP53 (0.46) HTR2ASLC6A4KCNH2RAB9AKMT2A
SCHEMBL12093486 0.82 NQO1 (0.52) HTR2ASLC6A4KCNH2RAB9AKMT2A
SCHEMBL19541454 0.82 HTR2A (0.42) HTR2ASLC6A4KCNH2RAB9AKMT2A
SCHEMBL14536644 0.81 RAB9A (0.51) RAB9AKMT2AHPGDSMN1; SMN2NPC1
SCHEMBL19121584 0.80 HTR2A (0.41) HTR2ASLC6A4KCNH2RAB9AKMT2A
SCHEMBL2091119 0.80 HTR2A (0.41) HTR2ASLC6A4KCNH2RAB9AKMT2A
SCHEMBL8257876 0.79 PDE2A (0.41) HTR2ASLC6A4KCNH2RAB9AKMT2A
SCHEMBL23473367 0.78 PTGS1 (0.45) HTR2ASLC6A4KCNH2KMT2AMCL1
SCHEMBL21894123 0.78 MMP13 (0.50) HTR2ASLC6A4KCNH2MMP13FFAR1

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 HTR2A 3100/4885SLC6A4 4365/4885KCNH2 3121/4885

“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.

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