SCHEMBL2808776

SCHEMBL2808776

Oc1cccc(C#Cc2ccc3ccccc3n2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.62
GRM5 P41594 6/20 0.51
KCNH2 Q12809 3/20 0.51
CYSLTR2 Q9NS75 2/20 0.46
CYSLTR1 Q9Y271 2/20 0.46
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PGK1 P00558 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL10402424 0.84 CYSLTR2 (0.57) TTRGRM5KCNH2CYSLTR2CYSLTR1
SCHEMBL15422868 0.82 TTR (0.68) TTRGRM5KCNH2CA12CA9
SCHEMBL12884290 0.82 TTR (0.62) TTRGRM5KCNH2CYSLTR2CYSLTR1
SCHEMBL5778843 0.81 GRM5 (0.62) TTRGRM5KCNH2CA12CA9
SCHEMBL2808633 0.81 TTR (0.55) TTRGRM5KCNH2KDM4EMEN1
SCHEMBL4713149 0.81 TTR (0.55) TTRGRM5KCNH2CA12CA1
SCHEMBL2807844 0.81 TTR (0.55) TTRGRM5KCNH2CYSLTR2CYSLTR1
SCHEMBL12884286 0.79 GRM5 (0.65) TTRGRM5KCNH2CA12CA9
SCHEMBL16979271 0.76 TTR (0.52) TTRGRM5KCNH2CYSLTR2CYSLTR1
SCHEMBL718295 0.75 CA12 (0.60) GRM5CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3147280-B1 ANTI-ANGIOGENIC COMPOUND UNIV COLLEGE DUBLIN NAT UNIV IRELAND DUBLIN (IE) 2018-03-07 EP disclosed
EP-3147280-B1 ANTI-ANGIOGENIC COMPOUND UNIV COLLEGE DUBLIN NAT UNIV IRELAND DUBLIN (IE) 2018-03-07 EP disclosed
US-9815788-B2 Anti-angiogenic compounds THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2017-11-14 US disclosed
US-9815788-B2 Anti-angiogenic compounds THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2017-11-14 US disclosed
US-9815788-B2 Anti-angiogenic compounds THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2017-11-14 US disclosed
EP-3147280-A1 ANTI-ANGIOGENIC COMPOUND University College Dublin, National University of Ireland, Dublin (IE) 2017-03-29 EP disclosed
EP-3147280-A1 ANTI-ANGIOGENIC COMPOUND University College Dublin, National University of Ireland, Dublin (IE) 2017-03-29 EP disclosed
US-20170050930-A1 ANTI-ANGIOGENIC COMPOUNDS UNIVERSITY COLLEGE DUBLIN NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2017-02-23 US disclosed
US-20170050930-A1 ANTI-ANGIOGENIC COMPOUNDS UNIVERSITY COLLEGE DUBLIN NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2017-02-23 US disclosed
US-20170050930-A1 ANTI-ANGIOGENIC COMPOUNDS UNIVERSITY COLLEGE DUBLIN NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2017-02-23 US disclosed
US-9388138-B2 Anti-angiogenic compounds UNIVERSITY COLLEGE DUBLIN NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2016-07-12 US disclosed
US-9388138-B2 Anti-angiogenic compounds UNIVERSITY COLLEGE DUBLIN NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2016-07-12 US disclosed
US-9388138-B2 Anti-angiogenic compounds UNIVERSITY COLLEGE DUBLIN NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2016-07-12 US disclosed
US-20150218100-A1 ANTI-ANGIOGENIC COMPOUNDS UNIVERSITY COLLEGE DUBLIN NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2015-08-06 US disclosed
US-20150218100-A1 ANTI-ANGIOGENIC COMPOUNDS UNIVERSITY COLLEGE DUBLIN NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2015-08-06 US disclosed
US-20150218100-A1 ANTI-ANGIOGENIC COMPOUNDS UNIVERSITY COLLEGE DUBLIN NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2015-08-06 US disclosed
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 US disclosed
US-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
EP-2202220-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF Fujifilm Corporation (JP) 2010-06-30 EP disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 EP 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B TTR 3597/4885GRM5 2797/4885KCNH2 382/4885
US-20170050930-A1 ANTI-ANGIOGENIC COMPOUNDS VEGFA, FLT4, VHL TTR 1646/4885GRM5 3709/4885KCNH2 4753/4885
US-20150218100-A1 ANTI-ANGIOGENIC COMPOUNDS VEGFA, FLT4, VHL TTR 1646/4885GRM5 3709/4885KCNH2 4753/4885
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 TTR 3025/4885GRM5 3664/4885KCNH2 3430/4885

“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.