SCHEMBL2097252

SCHEMBL2097252

[CH2]/C=C/c1c(C#N)cc(C#N)cc1C#N

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.33
TTR P02766 2/20 0.31
ALB P02768 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RAD51 Q06609 1/20 0.30

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
SCHEMBL2097255 1.00 VCAM1 (0.33) VCAM1TTRALBMEN1KMT2A
SCHEMBL6898133 0.73 VCAM1 (0.40) VCAM1TTRALBMEN1KMT2A
SCHEMBL5250677 0.69 VCAM1 (0.39) VCAM1TTRALBMEN1KMT2A
SCHEMBL2040623 0.66 VCAM1 (0.41) VCAM1TTRALBMEN1KMT2A
SCHEMBL3048555 0.66 VCAM1 (0.41) VCAM1TTRALBMEN1KMT2A
SCHEMBL3955231 0.64 TTR (0.42) VCAM1TTRALBMEN1KMT2A
SCHEMBL21918828 0.64 VCAM1 (0.39) VCAM1TTRALBMEN1KMT2A
SCHEMBL22130481 0.64 TTR (0.48) VCAM1TTRALBMEN1KMT2A
SCHEMBL17546133 0.64 TRPV4 (0.39) VCAM1TTRALBMEN1KMT2A
SCHEMBL11525607 0.64 VCAM1 (0.39) VCAM1TTRALBMEN1KMT2A

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 VCAM1 4046/4885TTR 4486/4885ALB 4118/4885

“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.