SCHEMBL5052830

SCHEMBL5052830

O=C(O)CCCc1cn(Cc2ccccc2)nn1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.70
CYP19A1 P11511 4/20 0.64
L3MBTL1 Q9Y468 1/20 0.57
HRH4 Q9H3N8 1/20 0.56
HSP90AB1 P08238 1/20 0.53

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
SCHEMBL15796670 0.96 HDAC1 (0.77) HDAC1CYP19A1L3MBTL1
SCHEMBL15795600 0.94 HDAC1 (0.75) HDAC1CYP19A1L3MBTL1
SCHEMBL1311300 0.91 HDAC1 (0.66) HDAC1CYP19A1HRH4HSP90AB1
SCHEMBL15796419 0.90 HDAC1 (0.69) HDAC1CYP19A1L3MBTL1
SCHEMBL15796735 0.89 HDAC1 (0.58) HDAC1CYP19A1L3MBTL1HRH4HSP90AB1
SCHEMBL16744515 0.88 HDAC1 (0.57) HDAC1CYP19A1L3MBTL1HSP90AB1
SCHEMBL15796818 0.87 HDAC1 (0.56) HDAC1CYP19A1L3MBTL1HRH4
SCHEMBL16206208 0.86 CYP19A1 (0.82) HDAC1CYP19A1HRH4HSP90AB1
SCHEMBL2194279 0.86 CYP19A1 (0.77) HDAC1CYP19A1HRH4HSP90AB1
SCHEMBL20969108 0.85 HDAC1 (0.62) HDAC1CYP19A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022202-B1 AUTOTAXIN INHIBITORS COMPRISING A HETEROAROMATIC RING-BENZYL-AMIDE-CYCLE CORE NOVARTIS AG (CH) 2019-05-15 EP disclosed
US-10183025-B2 Autotaxin inhibitors NOVARTIS AG (CH) 2019-01-22 US disclosed
US-20180021345-A1 AUTOTAXIN INHIBITORS NOVARTIS AG (CH) 2018-01-25 US disclosed
US-9763957-B2 Autotaxin inhibitors NOVARTIS AG (CH) 2017-09-19 US disclosed
US-9630945-B2 Autotaxin inhibitors NOVARTIS AG (CH) 2017-04-25 US disclosed
US-20170007614-A1 Autotaxin inhibitors NOVARTIS AG (CH) 2017-01-12 US disclosed
US-9409895-B2 Autotaxin inhibitors NOVARTIS AG (CH) 2016-08-09 US disclosed
US-20160184318-A1 AUTOTAXIN INHIBITORS NOVARTIS AG (CH) 2016-06-30 US disclosed
EP-3022202-A1 AUTOTAXIN INHIBITORS COMPRISING A HETEROAROMATIC RING-BENZYL-AMIDE-CYCLE CORE Novartis AG (CH) 2016-05-25 EP disclosed
CN-105555783-A Autotaxin inhibitors comprising a heteroaromatic ring-benzyl-amide-cycle core NOVARTIS AG 2016-05-04 CN disclosed
US-20150307475-A1 Autotaxin inhibitors NOVARTIS AG (CH) 2015-10-29 US disclosed
CN-104968656-A AUTOTAXIN INHIBITORS NOVARTIS AG 2015-10-07 CN disclosed
WO-2015008230-A1 AUTOTAXIN INHIBITORS COMPRISING A HETEROAROMATIC RING-BENZYL-AMIDE-CYCLE CORE NOVARTIS AG (CH) 2015-01-22 WO disclosed
US-20140171403-A1 Autotaxin inhibitors NOVARTIS AG (CH) 2014-06-19 US disclosed
US-20080299046-A1 METHODS FOR CONTROLLING SURFACE FUNCTIONALITY OF METAL OXIDE NANOPARTICLES, METAL OXIDE NANOPARTICLES HAVING CONTROLLED FUNCTIONALITY, AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-12-04 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 (6 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-20160184318-A1 AUTOTAXIN INHIBITORS ENPP2, SERPINB1, TFPI HDAC1 2666/4885CYP19A1 3993/4885L3MBTL1 3262/4885
US-20150307475-A1 Autotaxin inhibitors ENPP2, ATXN10, ATXN2L HDAC1 1497/4885CYP19A1 3901/4885L3MBTL1 3543/4885
US-20180021345-A1 AUTOTAXIN INHIBITORS ENPP2, SERPINB1, TFPI HDAC1 2666/4885CYP19A1 3993/4885L3MBTL1 3262/4885
US-20140171403-A1 Autotaxin inhibitors ENPP2, SERPINB1, TFPI HDAC1 2666/4885CYP19A1 3993/4885L3MBTL1 3262/4885
US-20170007614-A1 Autotaxin inhibitors ENPP2, SERPINB1, TFPI HDAC1 2666/4885CYP19A1 3993/4885L3MBTL1 3262/4885
US-10183025-B2 Autotaxin inhibitors ENPP2, SERPINB1, TFPI HDAC1 2666/4885CYP19A1 3993/4885L3MBTL1 3262/4885

“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.