SCHEMBL345840

SCHEMBL345840

COC(=O)C1CCc2ccc(NCc3cccnc3)cc2C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
MEN1 O00255 1/20 0.45
PABPC1 P11940 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 4/20 0.44
GAA P10253 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HDAC8 Q9BY41 1/20 0.44
VNN1 O95497 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 2/20 0.42
LTA4H P09960 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL345511 0.87 HDAC8 (0.46) MAPTMEN1PABPC1KMT2AALDH1A1
SCHEMBL346268 0.76 FAAH (0.49) MAPTALDH1A1GAAKDM4E
SCHEMBL346400 0.76 ACVRL1 (0.45) KMT2APOLB
SCHEMBL9834435 0.74 TBXAS1 (0.44) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL9836497 0.74 TBXAS1 (0.44) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL346615 0.72 DRD3 (0.46) MAPTKMT2AALDH1A1NPSR1POLB
SCHEMBL346625 0.71 NPC1 (0.58) MEN1KMT2AALDH1A1TP53LMNA
SCHEMBL3290307 0.71 ALDH1A1 (0.60) KMT2AALDH1A1GAAKDM4ECYP2C9
SCHEMBL346357 0.70 FAAH (0.54)
SCHEMBL9022793 0.70 FAAH (0.63)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 MAPT 2161/4885MEN1 3294/4885PABPC1 4678/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 MAPT 1377/4885MEN1 3777/4885PABPC1 4470/4885

“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.