SCHEMBL5869039

SCHEMBL5869039

Cc1ccc(C#Cc2ccc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
MAPT P10636 4/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 5/20 0.46
MAPK1 P28482 2/20 0.45
CYP1A2 P05177 2/20 0.45
LMNA P02545 1/20 0.45
CYP2C9 P11712 1/20 0.45
KCNMA1 Q12791 2/20 0.45
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 2/20 0.42
PKM P14618 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL5869163 0.91 NPC1 (0.48) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL5868957 0.90 KCNQ4 (0.44) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL5868981 0.90 ALDH1A1 (0.46) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL31365089 0.88 ALDH1A1 (0.58) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL8231247 0.88 ALDH1A1 (0.58) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL5868799 0.86 DHODH (0.42) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL2133252 0.85 ADRA2A (0.41) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL5562552 0.84 KMT2A (0.43) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL639550 0.84 MAPT (0.51) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL29430717 0.84 MAPT (0.51) NPC1RAB9AMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7151098-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-12-19 US disclosed
US-20060148791-A1 Glutamate receptor antagonists ADAM GEO 2006-07-06 US disclosed
US-7018998-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-03-28 US disclosed
US-6960578-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2005-11-01 US disclosed
US-20050234048-A1 Glutamate receptor antagonists ADAM GEO 2005-10-20 US disclosed
EP-1224175-B1 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2004-03-17 EP disclosed
US-20030092677-A1 Glutamate receptor antagonists ADAM GEO (DE) 2003-05-15 US disclosed
US-6509328-B1 Metabotropic glutamate receptor antagonists and accordingly are useful for the treatment of a range of neurological disorders, including psychosis, schizophrenia, Alzheimer's and others HOFFMANN-LA ROCHE INC. 2003-01-21 US disclosed
EP-1224175-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001029012-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 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 (3 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-20030092677-A1 Glutamate receptor antagonists GRM1, GRM3, GRM2 NPC1 2855/4885RAB9A 1527/4885MAPT 4357/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 NPC1 3580/4885RAB9A 2325/4885MAPT 4011/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 NPC1 3580/4885RAB9A 2325/4885MAPT 4011/4885

“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.