SCHEMBL355482

SCHEMBL355482

COC(=O)c1ccc2c(c1)CC(NC(=O)Nc1ccccc1)CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 2/20 0.53
NPC1 O15118 1/20 0.53
MTNR1A P48039 2/20 0.48
MTNR1B P49286 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
EPHX1 P07099 1/20 0.47
RAB9A P51151 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ACHE P22303 1/20 0.46
FAAH O00519 1/20 0.46
MAPT P10636 2/20 0.45
HIF1A Q16665 1/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
CTSC P53634 1/20 0.45

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
SCHEMBL15906487 0.86 HDAC8 (0.57) MTNR1AMTNR1BRAB9ACA1CA2
SCHEMBL356116 0.85 HDAC8 (0.60)
SCHEMBL469781 0.79 MTNR1A (0.51) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL354927 0.79 MTNR1A (0.52) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL464149 0.78 MTNR1A (0.50) MTNR1AMTNR1BMEN1KMT2ACA1
SCHEMBL10253259 0.78 MTNR1A (0.51) EPHX2MTNR1AMTNR1BCA1CA2
SCHEMBL354268 0.78 MTNR1A (0.51) EPHX2MTNR1AMTNR1BCA1CA2
SCHEMBL355191 0.77 HDAC8 (0.59) ALDH1A1MTNR1AMTNR1BCA1CA2
SCHEMBL353337 0.76 MTNR1A (0.53) SMN1; SMN2ALDH1A1NPC1MTNR1AMTNR1B
SCHEMBL10247141 0.76 KMT2A (0.54) SMN1; SMN2ALDH1A1NPC1MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, 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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 EPHX2 1524/4885SMN1; SMN2 640/4885ALDH1A1 676/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 EPHX2 473/4885SMN1; SMN2 1677/4885ALDH1A1 202/4885

“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.