SCHEMBL4547746

SCHEMBL4547746

CC(=O)Nc1cc(B(O)O)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
ESR1 P03372 1/20 0.39
ESRRG P62508 1/20 0.39
ESR2 Q92731 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL23795788 0.86 HDAC1 (0.55) HDAC1HDAC6CA1CA2CA9
SCHEMBL30881591 0.86 HDAC1 (0.55) HDAC1HDAC6CA1CA2CA9
SCHEMBL25970594 0.84 JAK3 (0.42) MAPTPOLBPDGFRBKDRESR1
SCHEMBL3790236 0.84 MAPT (0.47) HDAC1HDAC6CA1CA2CA9
SCHEMBL15279864 0.81 ALDH1A1 (0.52) MAPTNPC1RAB9APOLBALDH1A1
SCHEMBL14750323 0.79 BTK (0.46)
SCHEMBL30748254 0.78 SMN1; SMN2 (0.55) HDAC1HDAC6CA1CA2CA9
SCHEMBL8955980 0.78 SMN1; SMN2 (0.55) HDAC1HDAC6CA1CA2CA9
SCHEMBL13624846 0.77 KMT2A (0.50) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL9403860 0.77 KDM4E (0.59) HDAC1HDAC6CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10556914-B2 Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use ABBVIE INC. (US) 2020-02-11 US disclosed
EP-3350187-A1 SUBSTITUTED ISOXAZOLOPYRIDAZINONES AND ISOTHIAZOLOPYRIDAZINONES AND METHODS OF USE AbbVie Inc. (US) 2018-07-25 EP disclosed
WO-2017046117-A1 SUBSTITUTED ISOXAZOLOPYRIDAZINONES AND ISOTHIAZOLOPYRIDAZINONES AND METHODS OF USE ABBVIE INC. (US) 2017-03-23 WO disclosed
US-20170073353-A1 SUBSTITUTED ISOXAZOLOPYRIDAZINONES AND ISOTHIAZOLOPYRIDAZINONES AND METHODS OF USE AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-16 US disclosed
EP-1601999-B1 Holographic sensor and its use SMART HOLOGRAMS LTD (GB) 2013-04-24 EP disclosed
US-8241574-B2 Ophthalmic device comprising a holographic sensor SMART HOLOGRAMS LIMITED (GB) 2012-08-14 US disclosed
US-8241574-B2 Ophthalmic device comprising a holographic sensor SMART HOLOGRAMS LIMITED (GB) 2012-08-14 US disclosed
US-20120107944-A1 Holographic Sensor LOWE CHRISTOPHER ROBIN (GB) 2012-05-03 US disclosed
US-20120107944-A1 Holographic Sensor LOWE CHRISTOPHER ROBIN (GB) 2012-05-03 US disclosed
US-20110286064-A1 OPHTHALMIC DEVICE COMPRISING A HOLOGRAPHIC SENSOR BURLES BARRY (GB) 2011-11-24 US disclosed
US-20110286064-A1 OPHTHALMIC DEVICE COMPRISING A HOLOGRAPHIC SENSOR BURLES BARRY (GB) 2011-11-24 US disclosed
US-8048680-B2 Holographic sensor SMART HOLOGRAMS LIMITED (GB) 2011-11-01 US disclosed
US-8048680-B2 Holographic sensor SMART HOLOGRAMS LIMITED (GB) 2011-11-01 US disclosed
US-7998412-B2 Ophthalmic device comprising a holographic sensor SMART HOLOGRAMS LIMITED (GB) 2011-08-16 US disclosed
US-7998412-B2 Ophthalmic device comprising a holographic sensor SMART HOLOGRAMS LIMITED (GB) 2011-08-16 US disclosed
US-20090021697-A1 Ophthalmic Device Comprising a Holographic Sensor SMART HOLOGRAMS LIMITED (GB) 2009-01-22 US disclosed
US-20090021697-A1 Ophthalmic Device Comprising a Holographic Sensor SMART HOLOGRAMS LIMITED (GB) 2009-01-22 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 (2 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-10556914-B2 Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use GABRB1, GABBR1, GABBR2 HDAC1 2014/4885HDAC6 1347/4885CA1 2171/4885
US-20170073353-A1 SUBSTITUTED ISOXAZOLOPYRIDAZINONES AND ISOTHIAZOLOPYRIDAZINONES AND METHODS OF USE GABRB1, GABBR1, GABBR2 HDAC1 2014/4885HDAC6 1347/4885CA1 2171/4885

“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.