SCHEMBL5312973

SCHEMBL5312973

COc1cc(-c2cn3ncsc3n2)ccc1-c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
GAA P10253 4/20 0.57
TP53 P04637 3/20 0.57
KDR P35968 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 4/20 0.40
DCTPP1 Q9H773 1/20 0.40
NPC1 O15118 6/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.38
HPGD P15428 5/20 0.38
HSD17B10 Q99714 2/20 0.38
CREBBP Q92793 1/20 0.38
ALDH1A1 P00352 5/20 0.38
GUSB P08236 1/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
GLA P06280 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
SCHEMBL660519 0.80 MAPT (0.55) MAPTGAATP53KDM4ENPC1
SCHEMBL5311866 0.80 TP53 (0.48) MAPTTP53MEN1KMT2AKDM4E
SCHEMBL5312981 0.79 DCTPP1 (0.45) GAAKDRMEN1KMT2AKDM4E
SCHEMBL5833790 0.75 KMT2A (0.52) MAPTGAATP53MEN1KMT2A
SCHEMBL5313033 0.74 RAB9A (0.68) MAPTGAATP53MEN1KMT2A
SCHEMBL14668861 0.74 ERN1 (0.48) MAPTGAATP53KDRMEN1
SCHEMBL5833692 0.73 WDR5 (0.53) GAAKMT2AKDM4ENPC1RAB9A
SCHEMBL4200476 0.70 ATM (0.48) MAPTGAAKDRMEN1KMT2A
SCHEMBL5833461 0.70 KDM4E (0.43) MAPTTP53KDRMEN1KMT2A
SCHEMBL5470984 0.70 GRM5 (0.53) KDRMEN1KMT2AKDM4EDCTPP1

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
EP-1539749-A4 FUSED HETEROBICYCLO SUBSTITUTED PHENYL METABOTROPIC GLUTAMATE-5 MODULATORS MERCK & CO INC (US) 2007-06-13 EP disclosed
US-7105533-B2 Fused heterobicyclo substituted phenyl metabotropic glutamate-5 modulators MERCK & CO., INC. (US) 2006-09-12 US disclosed
US-20050240021-A1 Fused heterobicyclo substituted phenyl metabotropic glutamate-5 modulators MERCK SHARP & DOHME CORP. 2005-10-27 US disclosed
EP-1539749-A2 FUSED HETEROBICYCLO SUBSTITUTED PHENYL METABOTROPIC GLUTAMATE-5 MODULATORS Merck & Co., Inc. (US) 2005-06-15 EP disclosed
WO-2004024074-A2 FUSED HETEROBICYCLO SUBSTITUTED PHENYL METABOTROPIC GLUTAMATE-5 MODULATORS MERCK & CO., INC. (US) 2004-03-25 WO disclosed
WO-2004024074-A2 FUSED HETEROBICYCLO SUBSTITUTED PHENYL METABOTROPIC GLUTAMATE-5 MODULATORS MERCK & CO., INC. (US) 2004-03-25 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-20050240021-A1 Fused heterobicyclo substituted phenyl metabotropic glutamate-5 modulators GRM5, GRIK5, GRM1 MAPT 1844/4885GAA 2431/4885TP53 4775/4885

“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.