SCHEMBL15548573

SCHEMBL15548573

Oc1ccccc1C#Cc1ccc2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.56
KCNH2 Q12809 1/20 0.56
TTR P02766 3/20 0.55
ECE2 P0DPD6 2/20 0.41
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
AR P10275 1/20 0.39
SOS2 Q07890 1/20 0.38
CYP1A2 P05177 3/20 0.37
NCF1 P14598 1/20 0.37
NOS2 P35228 1/20 0.37
BACE1 P56817 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
MGAM O43451 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
STAT3 P40763 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
Hydrochloric Acid SCHEMBL16971023 0.98 GRM5 (0.54) GRM5KCNH2TTRECE2RAB9A
SCHEMBL18685683 0.79 TTR (0.59) GRM5KCNH2TTRARCYP1A2
SCHEMBL15422868 0.76 TTR (0.68) GRM5KCNH2TTRRAB9ANPC1
SCHEMBL12884286 0.76 GRM5 (0.65) GRM5KCNH2TTRRAB9ANPC1
SCHEMBL13299917 0.75 GRM5 (0.54) GRM5KCNH2TTRRAB9ANPC1
SCHEMBL5778843 0.74 GRM5 (0.62) GRM5KCNH2TTRRAB9ANPC1
SCHEMBL15688668 0.74 ALDH1A1 (0.53) RAB9ANPC1CYP1A2CA12ALDH1A1
SCHEMBL15548787 0.73 TTR (0.46) GRM5KCNH2TTRRAB9ANPC1
SCHEMBL2808776 0.72 TTR (0.62) GRM5KCNH2TTRRAB9ANPC1
SCHEMBL18751060 0.72 GRM5 (0.59) GRM5KCNH2TTRRAB9ANPC1

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 20 patents. 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
EP-2877454-B1 ANTI-ANGIOGENIC 2-STYRYL-QUINOLINE COMPOUNDS UNIV DUBLIN (IE) 2016-11-02 EP disclosed
EP-2877454-B1 ANTI-ANGIOGENIC 2-STYRYL-QUINOLINE COMPOUNDS UNIV DUBLIN (IE) 2016-11-02 EP 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
EP-2877454-A1 ANTI-ANGIOGENIC COMPOUNDS University College Dublin National University Of Ireland, Dublin (IE) 2015-06-03 EP disclosed
WO-2014012889-A1 ANTI-ANGIOGENIC COMPOUNDS UNIVERSITY COLLEGE DUBLIN - NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2014-01-23 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 (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-20170050930-A1 ANTI-ANGIOGENIC COMPOUNDS VEGFA, FLT4, VHL GRM5 3709/4885KCNH2 4753/4885TTR 1646/4885
US-20150218100-A1 ANTI-ANGIOGENIC COMPOUNDS VEGFA, FLT4, VHL GRM5 3709/4885KCNH2 4753/4885TTR 1646/4885

“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.