SCHEMBL2093971

SCHEMBL2093971

[CH2]OCc1ccc(C(=O)OCCCC)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
L3MBTL1 Q9Y468 5/20 0.48
HSP90AA1 P07900 2/20 0.48
TSHR P16473 6/20 0.48
MAPK1 P28482 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ESR1 P03372 4/20 0.48
LMNA P02545 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2D6 P10635 1/20 0.48
NR1H2 P55055 1/20 0.48
RNASEL Q05823 1/20 0.48
TDP1 Q9NUW8 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 3/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 2/20 0.44
CASP3 P42574 1/20 0.44

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
SCHEMBL2093974 0.87 NPC1 (0.52) NPC1RAB9AL3MBTL1HSP90AA1TSHR
SCHEMBL2090866 0.85 NPC1 (0.59) NPC1RAB9AL3MBTL1HSP90AA1TSHR
SCHEMBL19341670 0.84 TSHR (0.50) NPC1RAB9AL3MBTL1HSP90AA1TSHR
SCHEMBL2093331 0.84 TSHR (0.50) NPC1RAB9AL3MBTL1HSP90AA1TSHR
SCHEMBL448074 0.83 TSHR (0.59) L3MBTL1TSHRMAPK1SMN1; SMN2ESR1
SCHEMBL4677058 0.82 TSHR (0.50) NPC1RAB9AL3MBTL1HSP90AA1TSHR
SCHEMBL28424839 0.80 TSHR (0.56) L3MBTL1TSHRMAPK1SMN1; SMN2ESR1
SCHEMBL2093037 0.79 TSHR (0.51) NPC1RAB9AL3MBTL1TSHRMAPK1
SCHEMBL11435847 0.79 ALDH1A1 (0.51) NPC1RAB9AL3MBTL1HSP90AA1TSHR
SCHEMBL28433114 0.79 HDAC4 (0.59) NPC1RAB9AL3MBTL1TSHRMAPK1

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 NPC1 3130/4885RAB9A 3153/4885L3MBTL1 2575/4885

“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.