SCHEMBL4171644

SCHEMBL4171644

Nc1cccc(C2=Nc3cccc4cccc(c34)N2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 11/20 1.00
KMT2A Q03164 10/20 1.00
MEN1 O00255 9/20 1.00
MAPT P10636 9/20 1.00
LMNA P02545 4/20 1.00
MCL1 Q07820 3/20 1.00
USP2 O75604 2/20 0.74
ALOX12 P18054 1/20 0.74
KDM4E B2RXH2 3/20 0.70
ALDH1A1 P00352 3/20 0.65
NPC1 O15118 3/20 0.65
RAB9A P51151 2/20 0.61
CYP1A2 P05177 2/20 0.57
CYP2D6 P10635 2/20 0.57
ESR1 P03372 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
PKM P14618 1/20 0.52
APAF1 O14727 1/20 0.47
PLCG1 P19174 1/20 0.47
CCR6 P51684 1/20 0.47

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
SCHEMBL3395971 0.83 KMT2A (1.00) GAAKMT2AMEN1MAPTLMNA
SCHEMBL10085969 0.82 KMT2A (0.87) GAAKMT2AMEN1MAPTLMNA
SCHEMBL10084925 0.82 KMT2A (0.70) GAAKMT2AMEN1MAPTLMNA
Hydrochloric Acid SCHEMBL11862709 0.81 KMT2A (0.97) GAAKMT2AMEN1MAPTLMNA
SCHEMBL10086015 0.81 KMT2A (0.84) GAAKMT2AMEN1MAPTLMNA
SCHEMBL10086016 0.81 GAA (0.72) GAAKMT2AMEN1MAPTLMNA
SCHEMBL15018298 0.81 KMT2A (0.77) GAAKMT2AMEN1MAPTLMNA
SCHEMBL11290499 0.79 GAA (0.65) GAAKMT2AMEN1MAPTLMNA
SCHEMBL11273709 0.78 KMT2A (0.64) GAAKMT2AMEN1MAPTLMNA
Hydrochloric Acid SCHEMBL11401249 0.78 GAA (0.64) GAAKMT2AMEN1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710088-B2 Pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2014-04-29 US disclosed
US-8710088-B2 Pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2014-04-29 US disclosed
US-8710088-B2 Pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2014-04-29 US disclosed
US-20090117040-A1 Novel pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases MAX-DELBRUG-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2009-05-07 US disclosed
US-20090117040-A1 Novel pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases MAX-DELBRUG-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2009-05-07 US disclosed
US-20090117040-A1 Novel pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases MAX-DELBRUG-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2009-05-07 US disclosed
EP-1713457-A2 NOVEL DRUGS AND DIAGNOSTIC COMPOSITIONS FOR USE IN THE TREATMENT AND DIAGNOSIS OF NEURODEGENERATIVE DISEASES OR AMYLOID DISEASES MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN (DE) 2006-10-25 EP disclosed
WO-2005077343-A9 NOVEL DRUGS AND DIAGNOSTIC COMPOSITIONS FOR USE IN THE TREATMENT AND DIAGNOSIS OF NEURODEGENERATIVE DISEASES OR AMYLOID DISEASES MAX DELBRUECK CENTRUM (DE) 2005-11-24 WO disclosed
WO-2005077343-A2 NOVEL DRUGS AND DIAGNOSTIC COMPOSITIONS FOR USE IN THE TREATMENT AND DIAGNOSIS OF NEURODEGENERATIVE DISEASES OR AMYLOID DISEASES Max-Delbrück-Centrum für Molekulare Medizin (DE) 2005-08-25 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-20090117040-A1 Novel pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases APP, PSEN2, PSEN1 GAA 35/4885KMT2A 4715/4885MEN1 1020/4885

“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.