SCHEMBL16971024

SCHEMBL16971024

Oc1cccc2ccc(C=Cc3ccccc3Cl)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 14/20 1.00
MEN1 O00255 13/20 1.00
NPC1 O15118 13/20 1.00
HSP90AA1 P07900 3/20 1.00
AGTR1 P30556 3/20 1.00
RAB9A P51151 11/20 0.70
MAPT P10636 4/20 0.67
HTT P42858 3/20 0.67
POLB P06746 1/20 0.67
MCL1 Q07820 1/20 0.67
LMNA P02545 2/20 0.67
KDM4E B2RXH2 2/20 0.67
FNTA P49354 1/20 0.67
FNTB P49356 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
GAA P10253 1/20 0.67
MAPK1 P28482 1/20 0.67
ECE2 P0DPD6 3/20 0.60
CD74 P04233 1/20 0.58
MIF P14174 1/20 0.58

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
SCHEMBL16971022 1.00 KMT2A (1.00) KMT2AMEN1NPC1HSP90AA1AGTR1
SCHEMBL28153886 0.85 KMT2A (0.78) KMT2AMEN1NPC1HSP90AA1AGTR1
SCHEMBL16970987 0.82 MEN1 (0.70) KMT2AMEN1NPC1HSP90AA1AGTR1
SCHEMBL1784650 0.82 MEN1 (0.70) KMT2AMEN1NPC1HSP90AA1AGTR1
SCHEMBL1785243 0.82 MEN1 (1.00) KMT2AMEN1NPC1HSP90AA1AGTR1
SCHEMBL16970988 0.82 MEN1 (0.70) KMT2AMEN1NPC1HSP90AA1AGTR1
SCHEMBL1784646 0.82 MEN1 (0.70) KMT2AMEN1NPC1HSP90AA1AGTR1
SCHEMBL1785244 0.82 MEN1 (1.00) KMT2AMEN1NPC1HSP90AA1AGTR1
SCHEMBL28035482 0.81 KMT2A (1.00) KMT2AMEN1NPC1HSP90AA1AGTR1
SCHEMBL28035483 0.81 KMT2A (1.00) KMT2AMEN1NPC1HSP90AA1AGTR1

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 7 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

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 KMT2A 3493/4885MEN1 4178/4885NPC1 2305/4885
US-20150218100-A1 ANTI-ANGIOGENIC COMPOUNDS VEGFA, FLT4, VHL KMT2A 3493/4885MEN1 4178/4885NPC1 2305/4885

“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.