SCHEMBL12883189

SCHEMBL12883189

CCC(=O)c1[nH]nc2c1CCCC2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ MAPT P10636 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ HCAR2 Q8TDS4 2/20 0.35
▸ TSHR P16473 4/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ FLT3 P36888 1/20 0.31

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
SCHEMBL22344793 0.79 AURKA (0.47) GAACYP1A2MAPTKDM4EKMT2A
SCHEMBL1808017 0.78 KMT2A (0.47) GAACYP1A2MAPTKDM4EKMT2A
SCHEMBL9148813 0.78 AURKA (0.46) GAACYP1A2MAPTKDM4EKMT2A
SCHEMBL11594022 0.77 ALDH1A1 (0.42) GAACYP1A2MAPTKDM4EKMT2A
SCHEMBL12646066 0.77 TSHR (0.38) GAACYP1A2MAPTKDM4EKMT2A
SCHEMBL17883347 0.77 CCNA2 (0.43) GAAMAPTKDM4EKMT2AHCAR2
SCHEMBL17927711 0.76 BRD4 (0.50) GAACYP1A2MAPTKDM4EKMT2A
SCHEMBL16629837 0.74 HCAR2 (0.47) GAACYP1A2MAPTKDM4EKMT2A
SCHEMBL16629830 0.72 BRD4 (0.42) GAACYP1A2KMT2AHCAR2TSHR
SCHEMBL17927741 0.72 HCAR2 (0.39) GAACYP1A2MAPTKDM4EKMT2A

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-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 (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-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 GAA 46/4885CYP1A2 2666/4885MAPT 2380/4885

“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.

Send feedback