SCHEMBL10246889

SCHEMBL10246889

COc1ccc(C(=O)NC2CCc3cc(C(=O)NO)ccc3C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.58
CA2 P00918 3/20 0.58
ACHE P22303 2/20 0.58
MTNR1A P48039 2/20 0.55
MTNR1B P49286 2/20 0.55
HDAC8 Q9BY41 9/20 0.54
HDAC6 Q9UBN7 4/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.49
CNR2 P34972 1/20 0.49
GRM5 P41594 1/20 0.48
HDAC1 Q13547 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
SCHEMBL10253556 0.95 MTNR1A (0.61) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL10247271 0.90 HDAC8 (0.68) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL355780 0.88 CA1 (0.58) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL355014 0.88 CA1 (0.58) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL355015 0.88 CA1 (0.58) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL3395108 0.84 CA1 (0.64) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL10246883 0.82 HDAC8 (0.65) HDAC8HDAC6HDAC1
SCHEMBL355341 0.82 CA1 (0.51) CA1CA2ACHEHDAC8HDAC6
SCHEMBL10247274 0.82 HDAC8 (0.54) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL354884 0.80 HDAC8 (0.54) HDAC8HDAC6

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 CA1 506/4885CA2 450/4885ACHE 3488/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 CA1 725/4885CA2 810/4885ACHE 1462/4885

“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.