SCHEMBL3373290

SCHEMBL3373290

OC1Cc2ccccc2[N]1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
MEN1 O00255 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
BCHE P06276 3/20 0.36
ACHE P22303 2/20 0.36
ANPEP P15144 1/20 0.33
CTSD P07339 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
TRPA1 O75762 1/20 0.32
IDO1 P14902 2/20 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
SCHEMBL8935522 0.78 CYP2D6 (0.40) CYP2D6MEN1RECQLKMT2ABCHE
SCHEMBL840754 0.74 NOS3 (0.47) CYP2D6MEN1RECQLKMT2AACHE
SCHEMBL6802213 0.73 CYP2D6 (0.38) CYP2D6MEN1RECQLKMT2ACTSD
SCHEMBL4589465 0.73 CYP2D6 (0.38) CYP2D6MEN1RECQLKMT2AACHE
SCHEMBL2449959 0.72 CYP2D6 (0.39) CYP2D6MEN1RECQLKMT2ABCHE
SCHEMBL1515132 0.72 CYP2D6 (0.39) CYP2D6MEN1RECQLKMT2ABCHE
SCHEMBL2449491 0.72 CYP2D6 (0.39) CYP2D6MEN1RECQLKMT2ABCHE
SCHEMBL7691240 0.71 ACHE (0.44) MEN1KMT2AACHENOS3NOS2
SCHEMBL3377490 0.71 MAPT (0.41) CYP2D6MEN1RECQLKMT2ANOS3
SCHEMBL7295206 0.71 MAPT (0.41) CYP2D6MEN1RECQLKMT2ANOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0221958-B1 3-AMINOPROPYLOXYPHENYL DERIVATIVES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Louis, William John (AU) 1992-10-28 EP claimed
US-4977153-A BETA ADRENOCEPTOR BLOCKING AGENTS Louis, William J. (AU) 1990-12-11 US claimed
EP-0221958-A4 3-AMINOPROPYLOXYPHENYL DERIVATIVES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. LOUIS WILLIAM JOHN (AU) 1987-11-25 EP claimed
EP-0221958-A1 3-AMINOPROPYLOXYPHENYL DERIVATIVES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. LOUIS WILLIAM JOHN (AU) 1987-05-20 EP claimed
WO-1986006717-A1 3-AMINOPROPYLOXYPHENYL DERIVATIVES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LOUIS WILLIAM JOHN (AU) 1986-11-20 WO claimed
US-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 EP disclosed
EP-0221958-B1 3-AMINOPROPYLOXYPHENYL DERIVATIVES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Louis, William John (AU) 1992-10-28 EP disclosed
US-4977153-A BETA ADRENOCEPTOR BLOCKING AGENTS Louis, William J. (AU) 1990-12-11 US disclosed
EP-0313081-A2 2-Oxa-isocephem compounds, compositions containing the same and processes for preparing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-04-26 EP disclosed
EP-0221958-A4 3-AMINOPROPYLOXYPHENYL DERIVATIVES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. LOUIS WILLIAM JOHN (AU) 1987-11-25 EP disclosed
EP-0221958-A1 3-AMINOPROPYLOXYPHENYL DERIVATIVES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. LOUIS WILLIAM JOHN (AU) 1987-05-20 EP disclosed
WO-1986006717-A1 3-AMINOPROPYLOXYPHENYL DERIVATIVES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LOUIS WILLIAM JOHN (AU) 1986-11-20 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 (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-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI CYP2D6 1265/4885MEN1 2985/4885RECQL 2623/4885

“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.