SCHEMBL4346801

SCHEMBL4346801

O=C(O)c1cccc(-c2cc(F)ccc2O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
KMO O15229 1/20 0.51
ERN1 O75460 3/20 0.51
MAP2K4 P45985 1/20 0.51
PFKFB3 Q16875 1/20 0.51
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
DHFR P00374 1/20 0.48
LMNA P02545 1/20 0.48
TTR P02766 1/20 0.48
ALB P02768 1/20 0.48
HMGB1 P09429 1/20 0.48

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
SCHEMBL5933395 0.91 PTGER1 (0.53) KDM1AHDAC1HDAC6KMOERN1
SCHEMBL120358 0.82 AKR1C3 (0.63) HDAC6KMOERN1MAP2K4AKR1C3
SCHEMBL16428977 0.81 ESR2 (0.53) KDM1AHDAC1HDAC6PFKFB3MEN1
SCHEMBL4350191 0.81 CNR2 (0.52) KMOERN1AKR1C3AKR1C2CA1
SCHEMBL2406313 0.81 RXRA (0.58) KMOERN1CA1CA2MEN1
SCHEMBL442496 0.80 KMO (0.63) KDM1AHDAC1HDAC6KMOERN1
SCHEMBL594843 0.79 AKR1C3 (0.62) KMOMAP2K4AKR1C3AKR1C2LMNA
SCHEMBL121809 0.79 KMO (0.68) KMOERN1MAP2K4RXRARXRB
SCHEMBL4334719 0.79 LMNA (0.54) ERN1MAP2K4CA1CA2LMNA
SCHEMBL30146622 0.79 BACE1 (0.62) KDM1AHDAC1HDAC6PFKFB3CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10799510-B2 Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists GENFIT (FR) 2020-10-13 US disclosed
US-20170296548-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS GENFIT (FR) 2017-10-19 US disclosed
US-9586963-B2 Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists GENFIT (FR) 2017-03-07 US disclosed
US-20150038503-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS GENFIT (FR) 2015-02-05 US disclosed
US-20130078213-A1 THROMBOPOIETIN MIMETICS GLAXOSMITHKLINE LLC 2013-03-28 US disclosed
EP-1889838-B1 Thrombopoietin mimetics SMITHKLINE BEECHAM CORP (US) 2009-10-14 EP disclosed
EP-1889838-A1 Thrombopoietin mimetics SmithKline Beecham Corporation (US) 2008-02-20 EP disclosed
EP-1864981-A1 Thrombopoietin mimetics SmithKline Beecham Corporation (US) 2007-12-12 EP disclosed
US-20070129338-A1 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION 2007-06-07 US disclosed
US-20040019190-A1 Thrombopoietin mimetics NOVARTIS AG (CH) 2004-01-29 US disclosed
EP-1294378-A4 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORP (US) 2004-01-28 EP disclosed
EP-1294378-A2 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-26 EP disclosed
WO-2001089457-A2 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-29 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 (5 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-20070129338-A1 THROMBOPOIETIN MIMETICS MPL, THPO, TEK KDM1A 1515/4885HDAC1 4849/4885HDAC6 4487/4885
US-20130078213-A1 THROMBOPOIETIN MIMETICS MPL, THPO, TEK KDM1A 1515/4885HDAC1 4849/4885HDAC6 4487/4885
US-10799510-B2 Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists NR1D1, NR1D2, PER2 KDM1A 2221/4885HDAC1 968/4885HDAC6 3242/4885
US-20170296548-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS NR1D1, NR1D2, PER2 KDM1A 2221/4885HDAC1 968/4885HDAC6 3242/4885
US-20150038503-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS NR1D1, NR1D2, PER2 KDM1A 2221/4885HDAC1 968/4885HDAC6 3242/4885

“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.