SCHEMBL2056489

SCHEMBL2056489

CCC1Cc2cc(Cl)ccc2S1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
HTR2C P28335 6/20 0.35
HTR2A P28223 3/20 0.35
HTR2B P41595 3/20 0.35
THRB P10828 1/20 0.34
IDO1 P14902 1/20 0.34
METAP1 P53582 1/20 0.34
DRD2 P14416 4/20 0.33
HRH1 P35367 4/20 0.33
DRD4 P21917 3/20 0.33
TP53 P04637 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 2/20 0.33
NFKB1 P19838 2/20 0.33

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
SCHEMBL13785192 0.83 POLB (0.35) MAPTMAPK1SMN1; SMN2POLBGAA
SCHEMBL9883346 0.77 NPC1 (0.46) MAPTMAPK1SMN1; SMN2POLBGAA
SCHEMBL6820707 0.74 DRD3 (0.36) MAPTSMN1; SMN2POLBGAATHRB
SCHEMBL23473043 0.73 ACHE (0.31)
SCHEMBL15896883 0.70 ACHE (0.35) METAP1KDM4E
SCHEMBL9565775 0.69 TRPM5 (0.41) MAPTSMN1; SMN2POLBHTR2CTHRB
SCHEMBL11529541 0.67 HTR2A (0.41) HTR2CHTR2AHTR2BMETAP1DRD2
SCHEMBL29414935 0.64 VHL (0.35) MAPTMAPK1SMN1; SMN2POLBGAA
SCHEMBL16062592 0.62 HRH3 (0.62) HTR2CHTR2AHTR2BTHRBMETAP1
SCHEMBL14781250 0.62 HTR2C (0.44) MAPTSMN1; SMN2HTR2CHTR2AHTR2B

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 2 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
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 MAPT 4299/4885MAPK1 2105/4885SMN1; SMN2 3787/4885

“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.