SCHEMBL2091907

SCHEMBL2091907

CCCCCc1ccc(CN2CC[CH]CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.67
▸ S1PR1 P21453 4/20 0.52
▸ S1PR3 Q99500 4/20 0.52
▸ S1PR4 O95977 3/20 0.52
▸ S1PR5 Q9H228 3/20 0.52
▸ SPHK1 Q9NYA1 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ TSHR P16473 1/20 0.47
▸ CCR3 P51677 1/20 0.47
▸ TP53 P04637 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ESR1 P03372 2/20 0.46
▸ ADRA2A P08913 2/20 0.46
▸ ADORA3 P0DMS8 2/20 0.46
▸ TACR2 P21452 2/20 0.46
▸ SLC6A2 P23975 2/20 0.46
▸ SLC6A4 P31645 2/20 0.46
▸ SLC6A3 Q01959 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46

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
SCHEMBL1045364 0.83 HRH3 (0.67) HRH3S1PR1S1PR3S1PR4S1PR5
SCHEMBL2092115 0.80 HRH3 (0.48) HRH3S1PR1S1PR3S1PR4S1PR5
SCHEMBL26116187 0.80 POLB (0.63) HRH3TSHRKDM4EALDH1A1LMNA
SCHEMBL19227711 0.79 HRH3 (0.81) HRH3TSHRKDM4EALDH1A1CHRM1
SCHEMBL15921120 0.78 SPHK1 (0.78) HRH3S1PR1S1PR3S1PR4S1PR5
SCHEMBL21650862 0.77 NPC1 (0.63) HRH3NPC1RAB9ACCR3TP53
SCHEMBL6339390 0.77 ALDH1A1 (0.48) HRH3ADRA2ASLC6A2KDM4EALDH1A1
SCHEMBL25137036 0.76 HRH3 (0.62) HRH3NPC1RAB9ATSHRTP53
SCHEMBL11199523 0.76 HRH3 (0.58) HRH3TSHRCHRM2CHRM1ADRA2C
SCHEMBL978103 0.76 ALDH1A1 (0.66) HRH3ALDH1A1LMNAACHE

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 7 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
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 — — CN 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
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 — — CN 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 HRH3 538/4885S1PR1 1852/4885S1PR3 1874/4885

“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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