SCHEMBL5523779

SCHEMBL5523779

CN(C)c1cc2c(cc1Br)-c1ccccc1C2O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.44
GPR3 P46089 1/20 0.38
HTR2B P41595 4/20 0.38
HTR7 P34969 2/20 0.38
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DYRK1A Q13627 1/20 0.34
PDK2 Q15119 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL26023533 0.81 PGR (0.44) PGRGPR3HTR2BHTR7KMT2A
SCHEMBL1033749 0.76 HTR2B (0.43) PGRHTR2BHTR7KMT2AALDH1A1
SCHEMBL18385982 0.75 HTR2B (0.50) PGRGPR3HTR2BHTR7KMT2A
SCHEMBL5526151 0.73 PDK2 (0.50) PGRGPR3HTR2BHTR7KMT2A
SCHEMBL20082694 0.71 CYP1A2 (0.53) PGRHTR2BHTR7KMT2AALDH1A1
SCHEMBL22336275 0.71 HTR2B (0.47) PGRHTR2BHTR7KMT2AALDH1A1
SCHEMBL30441120 0.71 HTR2B (0.47) PGRHTR2BHTR7KMT2AALDH1A1
SCHEMBL216862 0.71 MAOA (0.52) PGRGPR3HTR2BHTR7KMT2A
SCHEMBL29376368 0.71 MAOA (0.52) PGRGPR3HTR2BHTR7KMT2A
SCHEMBL29884836 0.71 MAOA (0.52) PGRGPR3HTR2BHTR7KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254889-A1 Compounds and methods useful for rescuing cells from beta-amyloid toxicity and treatment of Alzheimer's disease THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2007-11-01 US disclosed
US-20050271584-A1 Biphenyls and fluorenes as imaging agents in alzheimer's disease THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2005-12-08 US disclosed
US-20050214222-A1 In vivo imaging of amyloid plaques in glaucoma using intravenous injectable dyes NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2005-09-29 US disclosed
EP-1553985-A2 BIPHENYLS AND FLUORENES AS IMAGING AGENTS IN ALZHEIMER'S DISEASE The Trustees of The University of Pennsylvania (US) 2005-07-20 EP disclosed
WO-2004032975-A2 BIPHENYLS AND FLUORENES AS IMAGING AGENTS IN ALZHEIMER'S DISEASE THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2004-04-22 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-20070254889-A1 Compounds and methods useful for rescuing cells from beta-amyloid toxicity and treatment of Alzheimer's disease APP, BACE1, IAPP PGR 4308/4885GPR3 3746/4885HTR2B 3641/4885
US-20050271584-A1 Biphenyls and fluorenes as imaging agents in alzheimer's disease APP, BACE2, BACE1 PGR 3835/4885GPR3 1065/4885HTR2B 446/4885

“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.