SCHEMBL4050311

SCHEMBL4050311

OCCc1cc(-c2ccccc2)on1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.74
RAB9A P51151 5/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
ALDH1A1 P00352 3/20 0.62
TDP1 Q9NUW8 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
NPC1 O15118 3/20 0.52
HIF1A Q16665 2/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HPGD P15428 2/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
FAAH O00519 2/20 0.47
MAPK1 P28482 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HDAC3 O15379 1/20 0.45

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
Lithium Ion SCHEMBL30047029 0.97 NOTUM (0.70) NOTUMRAB9ASMN1; SMN2ALDH1A1TDP1
SCHEMBL1544128 0.85 NOTUM (1.00) NOTUMRAB9ASMN1; SMN2ALDH1A1TDP1
SCHEMBL1233832 0.84 NOTUM (0.66) NOTUMRAB9ASMN1; SMN2ALDH1A1TDP1
SCHEMBL4041589 0.82 NOTUM (0.51) NOTUMRAB9ASMN1; SMN2ALDH1A1TDP1
SCHEMBL1844414 0.82 NOTUM (0.53) NOTUMRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL3955619 0.82 NOTUM (0.51) NOTUMRAB9ASMN1; SMN2ALDH1A1TDP1
SCHEMBL28319063 0.82 NOTUM (0.64) NOTUMRAB9ASMN1; SMN2ALDH1A1TDP1
SCHEMBL11804748 0.82 NOTUM (0.64) NOTUMRAB9ASMN1; SMN2ALDH1A1TDP1
SCHEMBL27163705 0.82 NOTUM (0.64) NOTUMRAB9ASMN1; SMN2ALDH1A1TDP1
SCHEMBL4041989 0.79 NOTUM (0.48) NOTUMRAB9ASMN1; SMN2ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-07-25 US disclosed
EP-4329889-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2024-03-06 EP disclosed
WO-2022227015-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2022-11-03 WO disclosed
WO-2022232333-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2022-11-03 WO disclosed
EP-2027128-A2 FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS Astra Zeneca AB (SE) 2009-02-25 EP disclosed
EP-1919901-A1 SUBSTITUTED PIPERAZINES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2008-05-14 EP disclosed
WO-2007130825-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS ASTRAZENECA AB (SE) 2007-11-15 WO disclosed
WO-2007021573-A1 SUBSTITUTED PIPERAZINES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2007-02-22 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 (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-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 NOTUM 3162/4885RAB9A 3769/4885SMN1; SMN2 4821/4885

“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.