SCHEMBL5832371

SCHEMBL5832371

O=C(Nc1ccccc1)c1ccc(Cl)c(O)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
TOP1 P11387 2/20 0.59
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
PTPN1 P18031 1/20 0.56
KDM4E B2RXH2 1/20 0.56
PKM P14618 1/20 0.56
PPARG P37231 1/20 0.55
HDAC2 Q92769 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC1 Q13547 1/20 0.54
KCNK3 O14649 1/20 0.54
KCNK9 Q9NPC2 1/20 0.54
PLAU P00749 1/20 0.54
TMPRSS4 Q9NRS4 1/20 0.54
BCAT2 O15382 1/20 0.54
CYP1A2 P05177 1/20 0.53

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
SCHEMBL3645013 0.86 MEN1 (0.74) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL7426457 0.84 TOP1 (0.82) MAPTTOP1MEN1KMT2ANPC1
SCHEMBL3789815 0.83 PPARG (0.74) MAPTMEN1KMT2APKMPPARG
SCHEMBL6814507 0.82 MAPT (0.59) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL13349339 0.82 MAPT (0.59) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL14724651 0.82 TAS1R3 (0.60) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL27498643 0.80 HDAC2 (0.59) TOP1MEN1KMT2ANPC1RAB9A
SCHEMBL3659683 0.80 KMT2A (0.71) TOP1MEN1KMT2APTPN1KDM4E
SCHEMBL3786373 0.80 SMO (0.64) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL19307775 0.80 KCNQ3 (0.52) MAPTTOP1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7087601-B2 Metabotropic glutamate receptor-5 modulators MERCK & CO., INC. (US) 2006-08-08 US disclosed
EP-1453815-A4 METABOTROPIC GLUTAMATE RECEPTOR-5 MODULATORS MERCK & CO INC (US) 2005-04-06 EP disclosed
US-20050065340-A1 Metabotropic glutamate receptor-5 modulators MERCK SHARP & DOHME CORP. 2005-03-24 US disclosed
EP-1453815-A1 METABOTROPIC GLUTAMATE RECEPTOR-5 MODULATORS Merck & Co., Inc. (US) 2004-09-08 EP disclosed
WO-2004030637-A2 TREATMENT OF OBESITY AND OTHER DISORDERS ASSOCIATED WITH EXCESSIVE FOOD INTAKE MERCK & CO., INC. (US) 2004-04-15 WO disclosed
WO-2003048137-A1 METABOTROPIC GLUTAMATE RECEPTOR-5 MODULATORS MERCK & CO., INC. (US) 2003-06-12 WO disclosed
CN-1172582-A Composition of mouse expelling agent containing amide SHENYANG CHEMICAL INST MINISTR (CN) 1998-02-11 CN 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-20050065340-A1 Metabotropic glutamate receptor-5 modulators GRM5, GRIK5, GRM1 MAPT 2892/4885TOP1 4823/4885MEN1 3624/4885

“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.