SCHEMBL445603

SCHEMBL445603

[O]C1CCN(CC(F)(F)F)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.39
HPGDS O60760 9/20 0.35
GPR119 Q8TDV5 1/20 0.35
JAK1 P23458 2/20 0.32
JAK2 O60674 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
DCPS Q96C86 1/20 0.31
PARP1 P09874 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
MTOR P42345 1/20 0.30

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
SCHEMBL20160685 0.80 KDM1A (0.39) KDM1AHPGDSGPR119JAK1JAK2
SCHEMBL834995 0.78 ACHE (0.43) KDM1AHPGDSGPR119
SCHEMBL20635752 0.78 KDM1A (0.38) KDM1AHPGDSGPR119JAK1JAK2
SCHEMBL445604 0.78 KDM1A (0.38) KDM1AHPGDSGPR119JAK1JAK2
SCHEMBL1978527 0.78 KDM1A (0.38) KDM1AHPGDSGPR119JAK1JAK2
SCHEMBL459481 0.78 GNAI3 (0.39) KDM1AHPGDSGPR119JAK1JAK2
SCHEMBL827042 0.78 KDM1A (0.38) KDM1AHPGDSGPR119JAK1JAK2
SCHEMBL25235628 0.78 KDM1A (0.34) KDM1A
SCHEMBL16977503 0.78 KDM1A (0.36) KDM1AHPGDSGPR119JAK1JAK2
SCHEMBL15360067 0.78 KDM1A (0.36) KDM1AHPGDSGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150164854-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEROF PHARMACYCLICS LLC 2015-06-18 US claimed
US-20110021528-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. (US) 2011-01-27 US claimed
EP-1611088-B1 HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS INC (US) 2009-06-17 EP claimed
US-7368476-B2 Hydroxamates as therapeutic agents PHARMACYCLICS, INC. (US) 2008-05-06 US claimed
EP-1611088-A2 HYDROXAMATES AS THERAPEUTIC AGENTS AXYS PHARMACEUTICALS, INC. (US) 2006-01-04 EP claimed
WO-2005097770-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. (US) 2005-10-20 WO claimed
US-20050227976-A1 Novel hydroxamates as therapeutic agents AXYS PHARMACEUTICALS, INC. (US) 2005-10-13 US claimed
US-20050187261-A1 For hepatitis C; histone deacetylase inhibitors, anticarcinogenic agents; N-hydroxy-4-{[(benzofuran-, benzothiophen-, or indol-)-2-ylcarbonylamino]alkoxy}benzamides; amidation of a benzoic acid, benzoate, benzoyl halide with hydroxyamine AXYS PHARMACEUTICALS, INC. (US) 2005-08-25 US claimed
WO-2004092115-A2 HYDROXAMATES AS THERAPEUTIC AGENTS AXYS PHARMACEUTICALS INC. (US) 2004-10-28 WO claimed
EP-2780026-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed
US-20190184196-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEREOF PHARMACYCLICS, INC. 2019-06-20 US disclosed
US-10105552-B2 Formulations of histone deacetylase inhibitor and uses thereof PHARMACYCLICS LLC (US) 2018-10-23 US disclosed
US-20170333731-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEREOF PHARMACYCLICS, INC. 2017-11-23 US disclosed
US-9492423-B2 Formulations of histone deacetylase inhibitor in combination with bendamustine and uses thereof PHARMACYCLICS LLC (US) 2016-11-15 US disclosed
US-7276612-B2 For hepatitis C; histone deacetylase inhibitors; N-hydroxy-4-{[(benzofuran-, benzothiophen-, or indol-)-2-ylcarbonylamino]alkoxy}benzamides PHARMACYCLICS, INC. (US) 2007-10-02 US disclosed
EP-1611088-A2 HYDROXAMATES AS THERAPEUTIC AGENTS AXYS PHARMACEUTICALS, INC. (US) 2006-01-04 EP disclosed
WO-2005097770-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. (US) 2005-10-20 WO disclosed
US-20050227976-A1 Novel hydroxamates as therapeutic agents AXYS PHARMACEUTICALS, INC. (US) 2005-10-13 US disclosed
US-20050187261-A1 For hepatitis C; histone deacetylase inhibitors, anticarcinogenic agents; N-hydroxy-4-{[(benzofuran-, benzothiophen-, or indol-)-2-ylcarbonylamino]alkoxy}benzamides; amidation of a benzoic acid, benzoate, benzoyl halide with hydroxyamine AXYS PHARMACEUTICALS, INC. (US) 2005-08-25 US disclosed
WO-2004092115-A2 HYDROXAMATES AS THERAPEUTIC AGENTS AXYS PHARMACEUTICALS INC. (US) 2004-10-28 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 (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-20150164854-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEROF HDAC1, HDAC2, HDAC8 KDM1A 100/4885HPGDS 2335/4885GPR119 1205/4885
US-20170333731-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEREOF HDAC1, HDAC7, HDAC5 KDM1A 60/4885HPGDS 1326/4885GPR119 711/4885
US-20050187261-A1 For hepatitis C; histone deacetylase inhibitors, anticarcinogenic agents; N-hydroxy-4-{[(benzofuran-, benzothiophen-, or indol-)-2-ylcarbonylamino]alkoxy}benzamides; amidation of a benzoic acid, benzoate, benzoyl halide with hydroxyamine AADAC, HDAC3, HDAC4 KDM1A 195/4885HPGDS 677/4885GPR119 1707/4885
US-10105552-B2 Formulations of histone deacetylase inhibitor and uses thereof HDAC1, HDAC7, HDAC5 KDM1A 60/4885HPGDS 1326/4885GPR119 711/4885
US-20110021528-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 KDM1A 198/4885HPGDS 115/4885GPR119 1460/4885
US-20190184196-A1 FORMULATIONS OF HISTONE DEACETYLASE INHIBITOR AND USES THEREOF HDAC1, HDAC7, HDAC5 KDM1A 60/4885HPGDS 1326/4885GPR119 711/4885
US-20050227976-A1 Novel hydroxamates as therapeutic agents HDAC1, HDAC5, HDAC10 KDM1A 134/4885HPGDS 80/4885GPR119 688/4885

“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.