SCHEMBL1662763

SCHEMBL1662763

O=C(O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.71
MAPT P10636 4/20 0.67
KMT2A Q03164 2/20 0.67
ALDH1A1 P00352 2/20 0.67
MEN1 O00255 1/20 0.67
USP2 O75604 1/20 0.59
NAMPT P43490 1/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.52
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
PKM P14618 1/20 0.51
ALOX12 P18054 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL28581975 0.94 KMT2A (0.72) TDP1MAPTKMT2AALDH1A1MEN1
SCHEMBL3637388 0.86 TDP1 (0.69) TDP1MAPTKMT2AALDH1A1MEN1
SCHEMBL16356982 0.85 TDP1 (0.73) TDP1MAPTKMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL3860647 0.82 HRH3 (0.56) TDP1MAPTKMT2AALDH1A1MEN1
SCHEMBL23610369 0.82 KDM4E (0.71) TDP1MAPTKMT2AALDH1A1MEN1
SCHEMBL17737082 0.82 KDM4E (0.71) TDP1MAPTKMT2AALDH1A1MEN1
SCHEMBL19187554 0.82 TDP1 (0.73) TDP1MAPTKMT2AALDH1A1MEN1
SCHEMBL1663638 0.82 TDP1 (0.73) TDP1MAPTKMT2AALDH1A1MEN1
SCHEMBL335061 0.81 KDM4E (0.61) MAPTKMT2AALDH1A1MEN1USP2
SCHEMBL3216409 0.81 MAPT (0.63) TDP1MAPTKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 US disclosed
CN-102656141-B Micromolecular compound of simulation hemopoieticgrowth factor and uses thereof LIGAND PHARMACEUTICALS INC. (US) 2016-04-06 CN disclosed
US-9260414-B2 Inhibitors of hepatitic C virus THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-02-16 US disclosed
US-9260414-B2 Inhibitors of hepatitic C virus THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-02-16 US disclosed
US-9260414-B2 Inhibitors of hepatitic C virus THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-02-16 US disclosed
US-9144557-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2015-09-29 US disclosed
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-09-10 US disclosed
US-20150071878-A1 NOVEL INHIBITORS OF HEPATITIC C VIRUS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-03-12 US disclosed
US-20150071878-A1 NOVEL INHIBITORS OF HEPATITIC C VIRUS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-03-12 US disclosed
US-20150071878-A1 NOVEL INHIBITORS OF HEPATITIC C VIRUS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-03-12 US disclosed
CN-103189371-A Novel hepatitis c virus inhibitors THERAVANCE INC 2013-07-03 CN disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 US disclosed
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2012061552-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS THERAVANCE, INC. (US) 2012-05-10 WO disclosed
WO-2012061552-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS THERAVANCE, INC. (US) 2012-05-10 WO disclosed
US-20120114600-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS THERAVANCE, INC. (US) 2012-05-10 US disclosed
US-20120114600-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS THERAVANCE, INC. (US) 2012-05-10 US disclosed
US-20120114600-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS THERAVANCE, INC. (US) 2012-05-10 US disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 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 (4 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-20150071878-A1 NOVEL INHIBITORS OF HEPATITIC C VIRUS HAVCR2, SLC10A1, HDGF TDP1 4776/4885MAPT 3876/4885KMT2A 4426/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF TDP1 4089/4885MAPT 4411/4885KMT2A 806/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF TDP1 4089/4885MAPT 4411/4885KMT2A 806/4885
US-20120114600-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, ZC3HAV1 TDP1 4693/4885MAPT 4309/4885KMT2A 3825/4885

“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.