SCHEMBL10227019

SCHEMBL10227019

CC(C)(C)OC(=O)C1(C=CCNC(=O)C(c2ccc(Cn3nc(-c4ccccc4)ccc3=O)cc2)C2CCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HRH3 Q9Y5N1 2/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 2/20 0.37
CYP1A2 P05177 1/20 0.37
HDAC1 Q13547 2/20 0.37
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 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
SCHEMBL10176605 0.93 MEN1 (0.42) MEN1KMT2AHRH3ALDH1A1KDM4E
SCHEMBL516964 0.85 MEN1 (0.43) MEN1KMT2AHRH3ALDH1A1KDM4E
SCHEMBL7905584 0.85 MEN1 (0.43) MEN1KMT2AHRH3ALDH1A1KDM4E
SCHEMBL516963 0.85 MEN1 (0.43) MEN1KMT2AHRH3ALDH1A1KDM4E
SCHEMBL7898855 0.83 MEN1 (0.43) MEN1KMT2AHRH3ALDH1A1KDM4E
SCHEMBL7899016 0.83 MEN1 (0.43) MEN1KMT2AHRH3ALDH1A1KDM4E
SCHEMBL7906089 0.83 MEN1 (0.43) MEN1KMT2AHRH3ALDH1A1KDM4E
SCHEMBL517331 0.83 MEN1 (0.52) MEN1KMT2AHRH3ALDH1A1KDM4E
SCHEMBL1177974 0.79 MET (0.42) MEN1KMT2AHRH3KDM4EMAPT
SCHEMBL7601248 0.79 MEN1 (0.49) MEN1KMT2AHRH3ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028971-A1 OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-02 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-20120028971-A1 OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF AADAC, OTC, HCAR2 MEN1 3857/4885KMT2A 2995/4885HRH3 1742/4885

“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.