SCHEMBL3560342

SCHEMBL3560342

Nc1ccccc1NC(=O)c1ccc(Cn2cc(-c3ccccc3)cn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.62
HDAC1 Q13547 14/20 0.61
ALDH1A1 P00352 2/20 0.60
RAB9A P51151 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
GAA P10253 2/20 0.59
HTT P42858 1/20 0.59
HDAC2 Q92769 5/20 0.55
KMT2A Q03164 1/20 0.55
NAMPT P43490 2/20 0.53
HDAC3 O15379 4/20 0.53
NCOR1 O75376 1/20 0.53
NCOR2 Q9Y618 1/20 0.53
MAPK1 P28482 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52

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
SCHEMBL3546667 0.88 KDM1A (0.63) KDM1AHDAC1ALDH1A1RAB9AL3MBTL1
SCHEMBL3553873 0.86 HDAC1 (0.63) KDM1AHDAC1ALDH1A1RAB9AL3MBTL1
SCHEMBL3549869 0.86 HDAC1 (0.61) KDM1AHDAC1ALDH1A1RAB9AL3MBTL1
SCHEMBL3555192 0.85 ALDH1A1 (0.61) KDM1AHDAC1ALDH1A1RAB9AL3MBTL1
SCHEMBL3546412 0.85 ALDH1A1 (0.61) KDM1AHDAC1ALDH1A1RAB9AL3MBTL1
SCHEMBL3554477 0.83 ALDH1A1 (0.59) KDM1AHDAC1ALDH1A1RAB9AL3MBTL1
SCHEMBL3546328 0.83 KLKB1 (0.69) KDM1AHDAC1ALDH1A1RAB9AL3MBTL1
SCHEMBL3543516 0.83 HDAC1 (0.60) KDM1AHDAC1ALDH1A1RAB9AL3MBTL1
SCHEMBL3555395 0.82 HDAC1 (0.60) KDM1AHDAC1ALDH1A1RAB9AL3MBTL1
SCHEMBL3550693 0.81 ALDH1A1 (0.56) KDM1AHDAC1ALDH1A1RAB9AL3MBTL1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101263121-A Histone deacetylase inhibitors TAKEDA SAN DIEGO INC (US) 2008-09-10 CN claimed
EP-1904452-A2 HISTONE DEACETYLASE INHIBITORS Takeda San Diego, Inc. (US) 2008-04-02 EP claimed
WO-2007011626-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-01-25 WO claimed
US-20070015809-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-01-18 US claimed
US-7741494-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-06-22 US disclosed
US-7741494-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-06-22 US disclosed
US-7741494-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-06-22 US disclosed
US-7732475-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-06-08 US disclosed
US-7732475-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-06-08 US disclosed
US-7732475-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-06-08 US disclosed
US-20090111996-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2009-04-30 US disclosed
US-20090111996-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2009-04-30 US disclosed
US-20080108829-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2008-05-08 US disclosed
US-20080108829-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2008-05-08 US disclosed
EP-1904452-A2 HISTONE DEACETYLASE INHIBITORS Takeda San Diego, Inc. (US) 2008-04-02 EP disclosed
WO-2007011626-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-01-25 WO disclosed
WO-2007011626-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-01-25 WO disclosed
US-20070015809-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-01-18 US disclosed
US-20070015809-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-01-18 US disclosed
US-20070015809-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-01-18 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 (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-20070015809-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC5 KDM1A 68/4885HDAC1 1/4885ALDH1A1 754/4885
US-20080108829-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC5 KDM1A 68/4885HDAC1 1/4885ALDH1A1 754/4885
US-20090111996-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC5 KDM1A 68/4885HDAC1 1/4885ALDH1A1 754/4885

“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.