SCHEMBL5330352

SCHEMBL5330352

COc1ccc(-c2csc3nc(C45CC6CC(CC(C6)C4)C5)cn23)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.40
CYP1B1 Q16678 5/20 0.40
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 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
CYP1A2 P05177 2/20 0.36
CYP2E1 P05181 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C8 P10632 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2A6 P11509 2/20 0.36

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 SCHEMBL5325732 0.99 CYP1A1 (0.40) CYP1A1CYP1B1IDO1TDO2MEN1
SCHEMBL5326047 0.92 IDO1 (0.40) CYP1A1CYP1B1IDO1TDO2MEN1
Hydrochloric Acid SCHEMBL5331228 0.91 IDO1 (0.39) IDO1TDO2MEN1KMT2AMAPT
SCHEMBL8228942 0.88 CYP1A1 (0.35) CYP1A1CYP1B1MEN1KMT2AMAPT
SCHEMBL5327371 0.85 SMN1; SMN2 (0.42) IDO1MEN1KMT2AMAPTNPC1
SCHEMBL14340780 0.84 PTPN1 (0.37) MEN1KMT2AMAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL5333644 0.84 KMT2A (0.41) IDO1MEN1KMT2AMAPTNPC1
SCHEMBL5324991 0.82 ALDH1A1 (0.44) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL5330825 0.82 KMT2A (0.38) CYP1A1CYP1B1IDO1TDO2MEN1
Hydrochloric Acid SCHEMBL5331829 0.82 ALDH1A1 (0.43) MEN1KMT2AMAPTNPC1RAB9A

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
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 4177/4885IDO1 3139/4885

“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.