SCHEMBL5833461

SCHEMBL5833461

COc1cc(-c2cc3ccccn3n2)ccc1-c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
DCTPP1 Q9H773 1/20 0.43
HRH3 Q9Y5N1 1/20 0.41
HPGD P15428 4/20 0.40
GRM5 P41594 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CREBBP Q92793 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
ERN1 O75460 1/20 0.39
SYK P43405 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
RAB9A P51151 2/20 0.38
KDR P35968 1/20 0.38
PDE4A P27815 2/20 0.38
NPC1 O15118 2/20 0.38
GUSB P08236 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37

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
SCHEMBL28710992 0.79 SYK (0.50) KDM4EMEN1KMT2AHPGDGRM5
SCHEMBL5312071 0.79 KDM4E (0.43) KDM4EMEN1KMT2ADCTPP1HPGD
SCHEMBL5257001 0.79 ALDH1A1 (0.46) KDM4EMEN1KMT2ADCTPP1HRH3
SCHEMBL8339561 0.78 KDM4E (0.61) KDM4EMEN1KMT2ADCTPP1HPGD
SCHEMBL14668861 0.78 ERN1 (0.48) KDM4EMEN1KMT2ADCTPP1HPGD
Hydrochloric Acid SCHEMBL5307513 0.77 KDM4E (0.60) KDM4EMEN1KMT2ADCTPP1HPGD
SCHEMBL31024094 0.76 ALDH1A1 (0.48) KDM4EHRH3HPGDHSD17B10ALDH1A1
SCHEMBL4200476 0.76 ATM (0.48) KDM4EMEN1KMT2ADCTPP1HPGD
SCHEMBL11322916 0.76 KDM4E (0.50) KDM4EHRH3HPGDGRM5HSD17B10
SCHEMBL5313033 0.75 RAB9A (0.68) KDM4EMEN1KMT2AHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 KDM4E 2758/4885MEN1 4652/4885KMT2A 2205/4885

“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.