SCHEMBL436764

SCHEMBL436764

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

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 4/20 0.44
MMP3 P08254 2/20 0.44
KMT2A Q03164 1/20 0.40
GHSR Q92847 1/20 0.40
HDAC8 Q9BY41 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MCHR1 Q99705 1/20 0.37

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
SCHEMBL459914 1.00 MMP8 (0.44) MMP8MMP3KMT2AGHSRHDAC8
SCHEMBL346517 0.80 GHSR (0.49) KMT2AGHSRNPC1RAB9A
SCHEMBL460968 0.77 GHSR (0.44) MMP8GHSRNPC1RAB9AMCHR1
SCHEMBL345556 0.76 ALDH1A1 (0.48) KMT2AGHSRNPC1RAB9AMCHR1
SCHEMBL438194 0.75 KMT2A (0.45) KMT2AGHSRHDAC8NPC1RAB9A
SCHEMBL346641 0.75 GHSR (0.49) KMT2AGHSRNPC1RAB9A
SCHEMBL461262 0.75 GHSR (0.42) MMP8MMP3GHSRNPC1RAB9A
SCHEMBL346347 0.73 HDAC8 (0.48) KMT2AGHSRHDAC8
SCHEMBL10197864 0.73 HDAC8 (0.48) KMT2AGHSRHDAC8
SCHEMBL345716 0.73 KHK (0.40) KMT2AGHSRNPC1RAB9AMCHR1

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
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

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 MMP8 541/4885MMP3 170/4885KMT2A 41/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 MMP8 1073/4885MMP3 665/4885KMT2A 60/4885

“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.