SCHEMBL345753

SCHEMBL345753

CN1CCC(NC(=O)c2ccc(Nc3ccc4c(c3)CCC(C(=O)NO)C4)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.45
AURKB Q96GD4 2/20 0.45
IGF1R P08069 3/20 0.42
JAK3 P52333 2/20 0.42
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
BRD4 O60885 5/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
CDK2 P24941 3/20 0.40
CDK1 P06493 2/20 0.40
TAF1 P21675 2/20 0.40
EGFR P00533 1/20 0.40
MAPK14 Q16539 2/20 0.40
CCNE1 P24864 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL346412 0.77 MTNR1A (0.47) MAPK14
SCHEMBL434257 0.77 MCHR1 (0.42) KMT2A
SCHEMBL346164 0.73 KMT2A (0.48) HDAC6MAPK14MEN1KMT2A
SCHEMBL459910 0.72 MTNR1B (0.58) MAPK14
SCHEMBL345641 0.72 ACVRL1 (0.49) HDAC6
SCHEMBL346517 0.71 GHSR (0.49) MAPK14MEN1KMT2A
SCHEMBL20551505 0.70 NPSR1 (0.54) AURKAAURKBHDAC4HDAC6
SCHEMBL461373 0.70 ACVRL1 (0.48) MAPK14MEN1KMT2A
SCHEMBL345764 0.70 MCHR1 (0.57) MAPK14MEN1KMT2A
SCHEMBL12879808 0.69 L3MBTL1 (0.61) AURKAAURKBHDAC4HDAC6MEN1

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 6 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
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 AURKA 525/4885AURKB 209/4885IGF1R 381/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 AURKA 673/4885AURKB 312/4885IGF1R 2053/4885

“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.