SCHEMBL353337

SCHEMBL353337

COC(=O)c1ccc2c(c1)CC(Nc1cccc(OC)c1)CC2

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
HDAC8 Q9BY41 8/20 0.51
HDAC6 Q9UBN7 4/20 0.51
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
ACHE P22303 3/20 0.50
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 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
SCHEMBL354738 0.89 HDAC8 (0.66) MTNR1AMTNR1BNPC1RAB9AHDAC8
SCHEMBL15906487 0.87 HDAC8 (0.57) MTNR1AMTNR1BRAB9AHDAC8HDAC6
SCHEMBL354812 0.81 HDAC8 (0.55) MTNR1AMTNR1BHDAC8HDAC6
SCHEMBL355764 0.78 HDAC8 (0.49) HDAC8HDAC6
SCHEMBL464156 0.78 HDAC8 (0.73) HDAC8HDAC6
SCHEMBL469781 0.78 MTNR1A (0.51) MTNR1AMTNR1BHDAC8HDAC6CA1
SCHEMBL10247141 0.78 KMT2A (0.54) MTNR1AMTNR1BNPC1RAB9AHDAC8
SCHEMBL10247157 0.78 KMT2A (0.54) MTNR1AMTNR1BNPC1RAB9AHDAC8
SCHEMBL464149 0.77 MTNR1A (0.50) MTNR1AMTNR1BHDAC8HDAC6CA1
SCHEMBL355482 0.76 EPHX2 (0.53) MTNR1AMTNR1BNPC1RAB9ACA1

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-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
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
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
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 MTNR1A 1476/4885MTNR1B 944/4885NPC1 2866/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 MTNR1A 1616/4885MTNR1B 1109/4885NPC1 2958/4885

“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.