SCHEMBL345556

SCHEMBL345556

CN(C)CC(=O)Nc1ccc2c(c1)CCC(C(=O)NO)C2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
GHSR Q92847 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.45
MCHR1 Q99705 13/20 0.45
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PARP1 P09874 1/20 0.42

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
SCHEMBL460968 0.85 GHSR (0.44) ALDH1A1GHSRMCHR1NPC1CYP1A2
SCHEMBL461262 0.83 GHSR (0.42) ALDH1A1GHSRMCHR1NPC1CYP1A2
SCHEMBL346517 0.81 GHSR (0.49) ALDH1A1GHSRMEN1KMT2AMAPT
SCHEMBL438194 0.76 KMT2A (0.45) ALDH1A1GHSRMEN1KMT2ALMNA
SCHEMBL346641 0.76 GHSR (0.49) ALDH1A1GHSRMEN1KMT2AMAPT
SCHEMBL459914 0.76 MMP8 (0.44) GHSRKMT2AMCHR1NPC1RAB9A
SCHEMBL436764 0.76 MMP8 (0.44) GHSRKMT2AMCHR1NPC1RAB9A
SCHEMBL345716 0.74 KHK (0.40) GHSRKMT2AMCHR1NPC1RAB9A
SCHEMBL346412 0.74 MTNR1A (0.47) ALDH1A1MCHR1NPC1RAB9A
SCHEMBL436877 0.74 PSMB8 (0.48) GHSRKMT2ANPC1HPGDRAB9A

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
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
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 ALDH1A1 559/4885GHSR 1236/4885MEN1 3294/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 ALDH1A1 185/4885GHSR 2184/4885MEN1 3777/4885

“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.