SCHEMBL2447052

SCHEMBL2447052

COc1ccc2nc3cc(Cl)ccc3[c]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
NQO2 P16083 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP19A1 P11511 1/20 0.44
AMY1A P0DUB6 1/20 0.42
ADORA2A P29274 1/20 0.42
PHLPP2 Q6ZVD8 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
HPGD P15428 1/20 0.40
MBNL1 Q9NR56 1/20 0.40
SLC2A1 P11166 1/20 0.40

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
SCHEMBL11442590 0.80 ALDH1A1 (0.69) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL11517853 0.75 KDM4E (0.52) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL12068392 0.75 ALDH1A1 (0.57) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL30227262 0.74 NCF1 (0.56) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL278565 0.74 NCF1 (0.56) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL7890079 0.74 KDM4E (0.37) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL855661 0.72 KDM4E (0.44) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL31500228 0.72 KDM4E (0.61) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL11194565 0.72 KDM4E (0.61) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL31038657 0.72 KDM4E (0.68) KDM4EALDH1A1MEN1KMT2ANPC1

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
US-20090149464-A1 Use of 1,4-bis (3-aminoalkyl) piperazine derivatives in the treatment of neurodegenerative diseases UNIVERSITE DU DROIT ET DE LA SANTE- LILLE II (FR) 2009-06-11 US claimed
EP-1809288-A1 USE OF 1,4-BIS (3-AMINOALKYL) PIPERAZINE DERIVATIVES IN THE TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2007-07-25 EP claimed
WO-2006051489-A1 USE OF 1,4-BIS (3-AMINOALKYL) PIPERAZINE DERIVATIVES IN THE TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2006-05-18 WO claimed
WO-1997027179-A2 ANTIRETROVIRAL BASES NOVARTIS AG (CH) 1997-07-31 WO claimed
EP-0173510-A2 Tripeptide derivatives for use as anti-hypertensive agents AJINOMOTO CO., INC. (JP) 1986-03-05 EP claimed
US-9044478-B2 Use of 1,4-bis (3-aminoalkyl) piperazine derivatives in the treatment of neurodegenerative diseases INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2015-06-02 US disclosed
EP-1809288-B1 USE OF 1,4-BIS (3-AMINOALKYL) PIPERAZINE DERIVATIVES IN THE TREATMENT OF NEURODEGENERATIVE DISEASES INST NAT SANTE RECH MED (FR) 2011-09-14 EP disclosed
US-20090149464-A1 Use of 1,4-bis (3-aminoalkyl) piperazine derivatives in the treatment of neurodegenerative diseases UNIVERSITE DU DROIT ET DE LA SANTE- LILLE II (FR) 2009-06-11 US disclosed
EP-1809288-A1 USE OF 1,4-BIS (3-AMINOALKYL) PIPERAZINE DERIVATIVES IN THE TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2007-07-25 EP disclosed
WO-2006051489-A1 USE OF 1,4-BIS (3-AMINOALKYL) PIPERAZINE DERIVATIVES IN THE TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2006-05-18 WO disclosed
EP-0979078-A4 SUBSTITUTED BIS-ACRIDINES AND RELATED COMPOUNDS AS CCR5 RECEPTOR LIGANDS, ANTI-INFLAMMATORY AGENTS AND ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORP (US) 2000-06-21 EP disclosed
EP-0979078-A1 SUBSTITUTED BIS-ACRIDINES AND RELATED COMPOUNDS AS CCR5 RECEPTOR LIGANDS, ANTI-INFLAMMATORY AGENTS AND ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-16 EP disclosed
WO-1998030218-A1 SUBSTITUTED BIS-ACRIDINES AND RELATED COMPOUNDS AS CCR5 RECEPTOR LIGANDS, ANTI-INFLAMMATORY AGENTS AND ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 1998-07-16 WO disclosed
WO-1997027179-A2 ANTIRETROVIRAL BASES NOVARTIS AG (CH) 1997-07-31 WO disclosed
US-4719200-A Amino acid derivatives and antihypertensive drugs containing the same AJINOMOTO CO., INC. (JP) 1988-01-12 US disclosed
EP-0173510-A2 Tripeptide derivatives for use as anti-hypertensive agents AJINOMOTO CO., INC. (JP) 1986-03-05 EP 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-20090149464-A1 Use of 1,4-bis (3-aminoalkyl) piperazine derivatives in the treatment of neurodegenerative diseases PSEN1, PSEN2, SNCA KDM4E 759/4885ALDH1A1 129/4885MEN1 3397/4885

“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.