SCHEMBL5327971

SCHEMBL5327971

COc1ccc(-c2csc3nc(C45CC6CC(CC(C6)C4)C5)cn23)cc1NC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
NPC1 O15118 3/20 0.41
KDM4E B2RXH2 3/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 4/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
FYN P06241 3/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC2 Q92769 1/20 0.38
NR1I2 O75469 1/20 0.38
PGR P06401 1/20 0.38
RARA P10276 1/20 0.38
HSPD1 P10809 1/20 0.38
RARB P10826 1/20 0.38

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 SCHEMBL5328201 0.99 KMT2A (0.41) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL5330338 0.86 KMT2A (0.42) MEN1KMT2AALDH1A1LMNANPC1
Hydrochloric Acid SCHEMBL5330382 0.85 KMT2A (0.41) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL5328122 0.84 IDO1 (0.40) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL5326124 0.83 IDO1 (0.39) MEN1KMT2AALDH1A1LMNAKDM4E
Hydrochloric Acid SCHEMBL5333618 0.83 IDO1 (0.39) MEN1KMT2AALDH1A1LMNANPC1
Hydrochloric Acid SCHEMBL5330327 0.82 IDO1 (0.39) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL14340781 0.82 ATP4A (0.39) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL5332651 0.82 ALDH1A1 (0.38) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL5331181 0.81 NPC1 (0.41) ALDH1A1NPC1KDM4ERAB9ATP53

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 MEN1 3965/4885KMT2A 1294/4885ALDH1A1 2824/4885

“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.