SCHEMBL29478359

SCHEMBL29478359

Brc1cnc2ccccc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.52
KDM4E B2RXH2 5/20 0.48
GPR3 P46089 1/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 5/20 0.47
HPGD P15428 4/20 0.47
HSD17B10 Q99714 3/20 0.47
MAPK1 P28482 1/20 0.47
ALOX15 P16050 1/20 0.47
GAA P10253 3/20 0.46
HTT P42858 3/20 0.46
LMNA P02545 1/20 0.46
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
BCHE P06276 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL197269 1.00 PDE10A (0.52) PDE10AKDM4EGPR3MAPTALDH1A1
SCHEMBL42594 0.75 BCHE (0.53) PDE10AKDM4EGPR3MAPTALDH1A1
SCHEMBL29559272 0.75 BCHE (0.53) PDE10AKDM4EGPR3MAPTALDH1A1
SCHEMBL197009 0.75 PABPC1 (0.47) MAPTMAPK1HTTLMNA
SCHEMBL26919701 0.75 HTT (0.44) MAPTALDH1A1MAPK1HTTLMNA
SCHEMBL31634338 0.75 PABPC1 (0.47) MAPTMAPK1HTTLMNA
SCHEMBL29614829 0.74 NPC1 (0.63) PDE10AKDM4EGPR3MAPTALDH1A1
SCHEMBL29966674 0.74 NPC1 (0.63) PDE10AKDM4EGPR3MAPTALDH1A1
SCHEMBL29942654 0.74 NPC1 (0.63) PDE10AKDM4EGPR3MAPTALDH1A1
SCHEMBL3076524 0.74 NPC1 (0.63) PDE10AKDM4EGPR3MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023183757-A2 ORTHOGONAL FUNCTIONALIZATION OF BRIDGE-SUBSTITUTED BCPS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-09-28 WO disclosed
US-20220285621-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2022-09-08 US disclosed
EP-4004006-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES cynora GmbH (DE) 2022-06-01 EP disclosed
CN-114269759-A Organic molecules for optoelectronic devices 辛诺拉有限公司 2022-04-01 CN 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 (1 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-20220285621-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES OR10J3, ORC3, C5 PDE10A 3676/4885KDM4E 4509/4885GPR3 41/4885

“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.