SCHEMBL5530904

SCHEMBL5530904

CN1Cc2ccccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
HSD17B3 P37058 1/20 0.37
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
SETD7 Q8WTS6 1/20 0.36
TSHR P16473 2/20 0.36
NOTUM Q6P988 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL7334246 0.80 CYP1A2 (0.45) MAOAMAOBHSD17B3DRD2DRD1
SCHEMBL14908518 0.77 DRD2 (0.48) MAOAMAOBDRD2DRD1DRD4
SCHEMBL17185668 0.74 MAOA (0.39) MAOAMAOBHSD17B3TSHRNOTUM
SCHEMBL7757699 0.74 MAOA (0.39) MAOAMAOBHSD17B3TSHRNOTUM
SCHEMBL6645559 0.74 MAOA (0.39) MAOAMAOBHSD17B3TSHRNPC1
SCHEMBL94770 0.71 MAPT (0.50) MAOAMAOBHSD17B3DRD2DRD1
SCHEMBL21436643 0.71 MAOA (0.37) MAOAMAOBHSD17B3DRD2DRD1
SCHEMBL16503891 0.70 TSHR (0.36) MAOAMAOBHSD17B3DRD2SETD7
SCHEMBL6414082 0.70 MAOA (0.35) MAOAMAOBHSD17B3NPC1RAB9A
SCHEMBL3533212 0.70 NOTUM (0.42) MAOBSETD7TSHRNOTUMKDM4E

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-20200231563-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MODULATORS OF MGLUR7 PRAGMA THERAPEUTICS (FR) 2020-07-23 US disclosed
EP-1845090-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR Nissan Chemical Industries, Ltd. (JP) 2007-10-17 EP disclosed
EP-1748993-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-02-07 EP disclosed
WO-2005116000-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2005-12-08 WO disclosed
WO-2005030738-A1 IMPROVED PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL FOR THE PREPARATION OF ZONISAMIDE SUVEN LIFE SCIENCES LIMITED (IN) 2005-04-07 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-20200231563-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MODULATORS OF MGLUR7 GRM7, GRM1, GRM3 MAOA 3110/4885MAOB 2305/4885HSD17B3 2368/4885

“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.