SCHEMBL2091996

SCHEMBL2091996

[CH2]CCCCOC(=O)Nc1cccc(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
CHRM3 P20309 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
NLRP3 Q96P20 1/20 0.38
ALDH1A1 P00352 3/20 0.38
RECQL P46063 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL2093171 0.83 EPHX2 (0.46) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL4820340 0.78 ALDH1A1 (0.59) NPC1RAB9ACHRM3SMN1; SMN2CYP1A2
SCHEMBL2089172 0.76 BCHE (0.49) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL2091460 0.75 RAB9A (0.40) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL21059191 0.74 SMN1; SMN2 (0.60) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL2095304 0.74 GAA (0.42) NPC1RAB9ACHRM3SMN1; SMN2CYP1A2
SCHEMBL4827906 0.74 RAB9A (0.50) NPC1RAB9ACHRM3SMN1; SMN2NPSR1
SCHEMBL21059105 0.73 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL5597234 0.73 RAB9A (0.67) NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL4360029 0.73 CYP1A2 (0.52) RAB9ASMN1; SMN2CYP1A2CYP2C19ALDH1A1

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 3153/4885CHRM3 1184/4885

“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.