SCHEMBL10247271

SCHEMBL10247271

COc1cccc(C(=O)NC2CCc3cc(C(=O)NO)ccc3C2)c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 8/20 0.68
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
ACHE P22303 2/20 0.55
MTNR1A P48039 2/20 0.52
MTNR1B P49286 2/20 0.52
GRM5 P41594 1/20 0.52
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TSHR P16473 1/20 0.51
HDAC6 Q9UBN7 2/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MCHR1 Q99705 1/20 0.48

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
SCHEMBL10246889 0.90 CA1 (0.58) HDAC8CA1CA2ACHEMTNR1A
SCHEMBL10253556 0.85 MTNR1A (0.61) HDAC8CA1CA2ACHEMTNR1A
SCHEMBL354738 0.82 HDAC8 (0.66) HDAC8MTNR1AMTNR1BHDAC6NPC1
SCHEMBL10247274 0.82 HDAC8 (0.54) HDAC8CA1CA2ACHEMTNR1A
SCHEMBL10249756 0.81 HDAC8 (0.50) HDAC8ALDH1A1MEN1KMT2AHDAC6
SCHEMBL443998 0.81 HDAC8 (1.00) HDAC8GRM5ALDH1A1MEN1KMT2A
SCHEMBL17478466 0.80 RAB9A (0.66) CA1CA2ACHEALDH1A1KMT2A
SCHEMBL10246883 0.80 HDAC8 (0.65) HDAC8MEN1KMT2AHDAC6NPC1
SCHEMBL355780 0.79 CA1 (0.58) HDAC8CA1CA2ACHEMTNR1A
SCHEMBL355014 0.79 CA1 (0.58) HDAC8CA1CA2ACHEMTNR1A

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
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
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 HDAC8 13/4885CA1 506/4885CA2 450/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HDAC8 20/4885CA1 725/4885CA2 810/4885

“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.