SCHEMBL5324929

SCHEMBL5324929

COc1ccc(OC)c(-c2csc3nc(C(C)(C)c4ccc(F)cc4)cn23)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
NPC1 O15118 2/20 0.45
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
MAPT P10636 3/20 0.37
NR1I2 O75469 4/20 0.37
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.33

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
Hydrochloric Acid SCHEMBL5324681 0.99 KMT2A (0.44) KMT2AMEN1NPC1CYP1A1CYP1B1
SCHEMBL14340762 0.92 CYP1A1 (0.47) KMT2AMEN1NPC1CYP1A1CYP1B1
SCHEMBL5326562 0.90 KMT2A (0.39) KMT2AMEN1NPC1MAPTNR1I2
Hydrochloric Acid SCHEMBL5324965 0.89 KMT2A (0.39) KMT2AMEN1NPC1MAPTNR1I2
SCHEMBL5331798 0.86 MAPT (0.42) KMT2AMEN1NPC1CYP1A1CYP1B1
Hydrochloric Acid SCHEMBL5332272 0.85 MAPT (0.41) KMT2AMEN1NPC1CYP1A1CYP1B1
SCHEMBL8226681 0.83 GUSB (0.38) KMT2AMEN1NPC1CYP1A1CYP1B1
SCHEMBL5352942 0.82 KMT2A (0.44) KMT2AMEN1NPC1CYP1A1CYP1B1
SCHEMBL5323801 0.82 CYP1A1 (0.40) KMT2AMEN1NPC1CYP1A1CYP1B1
Hydrochloric Acid SCHEMBL5329317 0.81 CYP1A1 (0.39) KMT2AMEN1NPC1CYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070299113-A1 Metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2007-12-27 US claimed
WO-2007148113-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-12-27 WO claimed
US-20070299113-A1 Metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2007-12-27 US disclosed
US-20070299113-A1 Metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2007-12-27 US disclosed
WO-2007148113-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-12-27 WO disclosed
WO-2007148113-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-12-27 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-20070299113-A1 Metabotropic glutamate receptor modulators GRM1, GRM2, GRM3 KMT2A 1294/4885MEN1 3965/4885NPC1 1076/4885

“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.