SCHEMBL15548652

SCHEMBL15548652

COc1ccc(I)cc1C=Cc1ccc2ccccc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.62
KMT2A Q03164 11/20 0.53
MEN1 O00255 10/20 0.53
NPC1 O15118 10/20 0.53
RAB9A P51151 10/20 0.53
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
LMNA P02545 3/20 0.53
MAPK1 P28482 2/20 0.53
HPGD P15428 2/20 0.53
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
POLB P06746 1/20 0.53
TP53 P04637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL15548649 1.00 GLA (0.62) GLAKMT2AMEN1NPC1RAB9A
SCHEMBL16979254 0.85 GLA (0.64) GLAKMT2AMEN1NPC1RAB9A
SCHEMBL16971005 0.84 MEN1 (0.67) GLAKMT2AMEN1NPC1RAB9A
SCHEMBL16971003 0.84 MEN1 (0.67) GLAKMT2AMEN1NPC1RAB9A
SCHEMBL15550640 0.83 NPC1 (0.67) GLAKMT2AMEN1NPC1RAB9A
SCHEMBL15550642 0.83 NPC1 (0.67) GLAKMT2AMEN1NPC1RAB9A
SCHEMBL18685678 0.82 GLA (0.60) GLAKMT2AMEN1NPC1RAB9A
SCHEMBL30442596 0.77 GLA (1.00) GLAKMT2AMEN1NPC1RAB9A
SCHEMBL29021873 0.77 GLA (1.00) GLAKMT2AMEN1NPC1RAB9A
SCHEMBL28439930 0.74 GLA (0.75) GLAKMT2AMEN1NPC1RAB9A

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 9 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
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
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
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
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 GLA 662/4885KMT2A 3493/4885MEN1 4178/4885
US-20150218100-A1 ANTI-ANGIOGENIC COMPOUNDS VEGFA, FLT4, VHL GLA 662/4885KMT2A 3493/4885MEN1 4178/4885

“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.