SCHEMBL1046503

SCHEMBL1046503

[CH]=C/C=C/c1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
CHAT P28329 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
GSR P00390 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
RELA Q04206 1/20 0.43
NFE2L2 Q16236 1/20 0.43
MAPT P10636 4/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL1046504 1.00 ALDH1A1 (0.48) ALDH1A1CHATHDAC1HDAC8HDAC6
SCHEMBL11461138 0.85 ALDH1A1 (0.56) ALDH1A1CHATHDAC1HDAC8HDAC6
SCHEMBL10137939 0.83 ALDH1A1 (0.54) ALDH1A1CHATHDAC1HDAC8HDAC6
SCHEMBL1058814 0.80 ALDH1A1 (0.62) ALDH1A1CHATHDAC1HDAC8HDAC6
SCHEMBL9586694 0.80 ALDH1A1 (0.62) ALDH1A1CHATHDAC1HDAC8HDAC6
Water SCHEMBL22130353 0.78 ALDH1A1 (0.59) ALDH1A1CHATHDAC1HDAC8HDAC6
SCHEMBL629076 0.77 CDK4 (0.57) ALDH1A1CHATHDAC1HDAC8HDAC6
SCHEMBL97837 0.77 CDK4 (0.57) ALDH1A1CHATHDAC1HDAC8HDAC6
SCHEMBL16934144 0.77 ALDH1A1 (0.60) ALDH1A1CHATHDAC1HDAC8HDAC6
SCHEMBL29800204 0.77 ALDH1A1 (0.60) ALDH1A1CHATHDAC1HDAC8HDAC6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2015-08-13 US disclosed
US-8987304-B2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 US disclosed
EP-2269694-A2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-01-05 EP disclosed
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 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 (2 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-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALDH1A1 704/4885CHAT 2768/4885HDAC1 75/4885
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALDH1A1 704/4885CHAT 2768/4885HDAC1 75/4885

“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.