SCHEMBL17458050

SCHEMBL17458050

O=c1ccccn1CCc1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.55
HTT P42858 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
DAO P14920 1/20 0.49
CNOT7 Q9UIV1 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HRH1 P35367 1/20 0.46
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44

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
SCHEMBL17457945 0.83 ALDH1A1 (0.53) HSD17B10HDAC3HDAC4HDAC1HDAC7
SCHEMBL29727903 0.80 CYP1A2 (0.49) HSD17B10HDAC3HDAC4HDAC1HDAC7
SCHEMBL27494735 0.77 HSD17B10 (0.54) HSD17B10DAOL3MBTL1HRH1ALDH1A1
SCHEMBL9752595 0.75 L3MBTL1 (0.55) L3MBTL1
SCHEMBL6638412 0.73 HRH1 (0.50) HSD17B10HTTHDAC3HDAC4HDAC1
SCHEMBL19669743 0.73 HSD17B10 (0.47) HSD17B10HTTHDAC3HDAC4HDAC1
SCHEMBL10417628 0.73 ALDH1A1 (0.50) HSD17B10HRH1ALDH1A1KMT2AHRH3
SCHEMBL5077099 0.73 PARP1 (0.55) HSD17B10HTTHDAC3HDAC4HDAC1
SCHEMBL17457918 0.73 PSMB1 (0.55) HSD17B10HTTHDAC6DAOL3MBTL1
SCHEMBL16026529 0.73 THRB (0.61) HSD17B10HRH1ADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190142813-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2019-05-16 US disclosed
US-10251872-B2 Multisubstituted aromatic compounds as serine protease inhibitors VERSEON CORPORATION (US) 2019-04-09 US disclosed
US-10058541-B2 Multisubstituted aromatic compounds as serine protease inhibitors VERSEON CORPORATION (US) 2018-08-28 US disclosed
US-20180064698-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2018-03-08 US disclosed
US-20170258775-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2017-09-14 US disclosed
US-9687479-B2 Multisubstituted aromatic compounds as serine protease inhibitors VERSEON CORPORATION (US) 2017-06-27 US disclosed
US-20170065570-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2017-03-09 US disclosed
US-9533970-B2 Multisubstituted aromatic compounds as serine protease inhibitors VERSEON CORPORATION (US) 2017-01-03 US disclosed
US-20160024047-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2016-01-28 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 (7 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-20190142813-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINB1 HSD17B10 1964/4885HTT 1541/4885HDAC3 1195/4885
US-20180064698-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINB1 HSD17B10 1964/4885HTT 1541/4885HDAC3 1195/4885
US-10251872-B2 Multisubstituted aromatic compounds as serine protease inhibitors SPINT2, PRSS1, SERPINB1 HSD17B10 1964/4885HTT 1541/4885HDAC3 1195/4885
US-10058541-B2 Multisubstituted aromatic compounds as serine protease inhibitors SPINT2, PRSS1, SERPINB1 HSD17B10 1964/4885HTT 1541/4885HDAC3 1195/4885
US-20160024047-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINB1 HSD17B10 1964/4885HTT 1541/4885HDAC3 1195/4885
US-20170065570-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINB1 HSD17B10 1964/4885HTT 1541/4885HDAC3 1195/4885
US-20170258775-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINB1 HSD17B10 1964/4885HTT 1541/4885HDAC3 1195/4885

“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.