SCHEMBL16083161

SCHEMBL16083161

Cn1cc(Cn2ncc3cc(C(=O)Nc4ccccc4N)ccc32)cn1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.55
HDAC2 Q92769 8/20 0.55
HDAC3 O15379 3/20 0.55
ADORA2A P29274 2/20 0.45
MET P08581 1/20 0.44
KDM1A O60341 1/20 0.43

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
SCHEMBL16083176 0.88 HDAC1 (0.55) HDAC1HDAC2HDAC3ADORA2A
SCHEMBL16083160 0.83 HDAC2 (0.56) HDAC1HDAC2HDAC3KDM1A
SCHEMBL16083087 0.83 HDAC2 (0.55) HDAC1HDAC2HDAC3ADORA2A
SCHEMBL8420480 0.82 HDAC1 (0.56) HDAC1HDAC2HDAC3ADORA2A
SCHEMBL3555346 0.82 HDAC1 (0.55) HDAC1HDAC2ADORA2A
SCHEMBL16056352 0.82 HDAC2 (0.56) HDAC1HDAC2HDAC3ADORA2A
SCHEMBL21413564 0.82 HDAC2 (0.54) HDAC1HDAC2HDAC3ADORA2A
SCHEMBL16083165 0.82 HDAC2 (0.66) HDAC1HDAC2HDAC3METKDM1A
SCHEMBL3554525 0.80 HDAC2 (0.58) HDAC1HDAC2HDAC3ADORA2A
SCHEMBL16083082 0.80 HDAC2 (0.77) HDAC1HDAC2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428028-B2 HDAC inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2019-10-01 US disclosed
US-10029988-B2 HDAC inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2018-07-24 US disclosed
US-10029988-B2 HDAC inhibitors BIOMARIN PHARMACEUTICAL INC. (US) 2018-07-24 US disclosed
EP-2970139-B1 HDAC INHIBITORS BIOMARIN PHARM INC (US) 2018-05-30 EP disclosed
US-20160031823-A1 HDAC INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2016-02-04 US disclosed
US-20160031823-A1 HDAC INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2016-02-04 US disclosed
WO-2014143666-A1 HDAC INHIBITORS BIOMARIN PHARMACEUTICAL INC. (US) 2014-09-18 WO 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 (3 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-10029988-B2 HDAC inhibitors HDAC1, HDAC2, HDAC11 HDAC1 1/4885HDAC2 2/4885HDAC3 4/4885
US-10428028-B2 HDAC inhibitors HDAC1, HDAC2, HDAC11 HDAC1 1/4885HDAC2 2/4885HDAC3 4/4885
US-20160031823-A1 HDAC INHIBITORS HDAC1, HDAC2, HDAC11 HDAC1 1/4885HDAC2 2/4885HDAC3 4/4885

“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.