SCHEMBL12868397

SCHEMBL12868397

COc1cc(C)nc(C(=O)C(C)(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
CYP1A2 P05177 2/20 0.43
KDM4E B2RXH2 1/20 0.42
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.37
NUDT1 P36639 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL7013053 0.79 ALDH1A1 (0.50) ALDH1A1CYP1A2KDM4EEDNRBEDNRA
SCHEMBL882663 0.79 CYP1A2 (0.52) ALDH1A1CYP1A2KDM4EEDNRBEDNRA
SCHEMBL6694248 0.78 ALDH1A1 (0.57) ALDH1A1CYP1A2KDM4EEDNRBEDNRA
SCHEMBL9461179 0.78 ALDH1A1 (0.58) ALDH1A1CYP1A2KDM4EEDNRBEDNRA
SCHEMBL12868297 0.77 MEN1 (0.42) ALDH1A1CYP1A2KDM4EEDNRBEDNRA
SCHEMBL9461048 0.74 ALDH1A1 (0.53) ALDH1A1CYP1A2KDM4ELMNAMAPT
SCHEMBL10181023 0.70 CYP1A2 (0.53) ALDH1A1CYP1A2KDM4ELMNAPOLB
SCHEMBL10220279 0.69 ALDH1A1 (0.43) ALDH1A1CYP1A2EDNRBEDNRALMNA
Hydrochloric Acid SCHEMBL17984719 0.69 ALDH1A1 (0.47) ALDH1A1CYP1A2KDM4ELMNAMAPT
SCHEMBL31292134 0.69 ALDH1A1 (0.43) ALDH1A1CYP1A2KDM4EEDNRBEDNRA

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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-8624040-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-01-07 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 ALDH1A1 1220/4885CYP1A2 2666/4885KDM4E 903/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 ALDH1A1 1220/4885CYP1A2 2666/4885KDM4E 903/4885

“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.