SCHEMBL5323801

SCHEMBL5323801

COc1ccc(-c2csc3nc(C(C)(C)c4cccc(F)c4)cn23)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 6/20 0.40
CYP1B1 Q16678 6/20 0.40
MAPT P10636 6/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NPC1 O15118 3/20 0.36
NFKB1 P19838 2/20 0.36
RAB9A P51151 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
CYP3A4 P08684 4/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP2E1 P05181 2/20 0.34
CYP2C8 P10632 2/20 0.34
CYP2D6 P10635 2/20 0.34

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 SCHEMBL5329317 0.99 CYP1A1 (0.39) CYP1A1CYP1B1MAPTMEN1KMT2A
SCHEMBL14340762 0.89 CYP1A1 (0.47) CYP1A1CYP1B1MAPTMEN1KMT2A
SCHEMBL5352942 0.89 KMT2A (0.44) CYP1A1CYP1B1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL5332256 0.88 KMT2A (0.43) CYP1A1CYP1B1MAPTMEN1KMT2A
SCHEMBL5324929 0.82 KMT2A (0.45) CYP1A1CYP1B1MAPTMEN1KMT2A
SCHEMBL5326562 0.81 KMT2A (0.39) MAPTMEN1KMT2ANPC1NFKB1
Hydrochloric Acid SCHEMBL5324681 0.81 KMT2A (0.44) CYP1A1CYP1B1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL5324965 0.81 KMT2A (0.39) MAPTMEN1KMT2ANPC1NFKB1
SCHEMBL8226681 0.79 GUSB (0.38) CYP1A1CYP1B1MAPTMEN1KMT2A
SCHEMBL5331798 0.75 MAPT (0.42) CYP1A1CYP1B1MAPTMEN1KMT2A

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 4 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
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 CYP1A1 3822/4885CYP1B1 4177/4885MAPT 794/4885

“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.