SCHEMBL4712459

SCHEMBL4712459

N#Cc1cccc(C=Cc2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 8/20 0.56
ALDH1A1 P00352 7/20 0.56
KDM4E B2RXH2 7/20 0.56
HPGD P15428 6/20 0.56
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HDAC6 Q9UBN7 2/20 0.56
PKM P14618 2/20 0.56
GRM5 P41594 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
CYP2C19 P33261 1/20 0.56
THPO P40225 1/20 0.56

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
SCHEMBL4712457 1.00 GRM4 (0.56) GRM4ALDH1A1KDM4EHPGDRAB9A
SCHEMBL5864800 0.85 NPC1 (0.50) GRM4ALDH1A1KDM4EHPGDRAB9A
SCHEMBL5864973 0.85 KDM4E (0.47) GRM4ALDH1A1KDM4EHPGDRAB9A
SCHEMBL5864968 0.85 KDM4E (0.47) GRM4ALDH1A1KDM4EHPGDRAB9A
SCHEMBL5864794 0.85 NPC1 (0.50) GRM4ALDH1A1KDM4EHPGDRAB9A
SCHEMBL5865235 0.85 GRM4 (0.50) GRM4ALDH1A1KDM4EHPGDRAB9A
SCHEMBL5865233 0.85 GRM4 (0.50) GRM4ALDH1A1KDM4EHPGDRAB9A
SCHEMBL5864866 0.82 MAPT (0.53) KDM4EHPGDRAB9ANPC1SMN1; SMN2
SCHEMBL5865155 0.82 RELA (0.45) GRM4ALDH1A1KDM4EHPGDRAB9A
SCHEMBL5865152 0.82 RELA (0.45) GRM4ALDH1A1KDM4EHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998459-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2008-04-23 EP claimed
EP-0998459-A2 PYRIDINE DERIVATIVES Novartis AG (CH) 2000-05-10 EP claimed
WO-1999002497-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 1999-01-21 WO claimed
EP-0998459-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2008-04-23 EP disclosed
CN-1837195-A Pyridine derivatives as nmda-receptor subtype blockers HOFFMANN LA ROCHE (CH) 2006-09-27 CN disclosed
US-7034044-B2 Conjugated aromatic compounds with a pyridine substituent HOFFMANN-LA ROCHE INC. (US) 2006-04-25 US disclosed
US-20060058354-A1 Conjugated aromatic compounds with a pyridine substituent ALANINE ALEXANDER 2006-03-16 US disclosed
US-6951875-B2 Conjugated aromatic compounds with a pyridine substituent HOFFMANN-LA ROCHE INC. (US) 2005-10-04 US disclosed
CN-1203060-C Pyridine derivatives, compositions and uses thereof NOVARTIS AG (CH) 2005-05-25 CN disclosed
CN-1578662-A Pyridine derivatives as nmda-receptor subtype blockers HOFFMANN LA ROCHE (CH) 2005-02-09 CN disclosed
EP-1443926-A1 PYRIDINE DERIVATIVES AS NMDA-RECEPTOR SUBTYPE BLOCKERS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-11 EP disclosed
US-20040068118-A1 Conjugated aromatic compounds with a pyridine substituent ALANINE ALEXANDER (FR) 2004-04-08 US disclosed
US-6656957-B1 Marked and selective modulating, especially antagonistic, action at human metabotropic glutamate receptors (mGluRs); treatment of disorders such as epilepsy, cerebral ischemias, especially acute ischemias, spasticity etc. NOVARTIS AG (CH) 2003-12-02 US disclosed
US-20030144525-A1 Conjugated aromatic compounds with a pyridine substituent HOFFMANN-LA ROCHE INC. 2003-07-31 US disclosed
WO-2003037333-A1 PYRIDINE DERIVATIVES AS NMDA-RECEPTOR SUBTYPE BLOCKERS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-08 WO disclosed
CN-1262676-A Pyridine derivatives NOVARTIS AG (CH) 2000-08-09 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 (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-20040068118-A1 Conjugated aromatic compounds with a pyridine substituent GRIN2B, GRIN1, GRIN2C GRM4 20/4885ALDH1A1 832/4885KDM4E 1020/4885
US-20030144525-A1 Conjugated aromatic compounds with a pyridine substituent GRIN2B, GRIN1, GRIN2C GRM4 20/4885ALDH1A1 832/4885KDM4E 1020/4885
US-20060058354-A1 Conjugated aromatic compounds with a pyridine substituent GRIN2B, GRIN3A, GRIN2C GRM4 19/4885ALDH1A1 1046/4885KDM4E 925/4885

“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.