SCHEMBL4152060

SCHEMBL4152060

O=C(c1ccco1)N1CCCN(c2nc3ccccc3s2)CC1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.69
RAB9A P51151 4/20 0.69
NPC1 O15118 4/20 0.69
TP53 P04637 3/20 0.67
ALDH1A1 P00352 4/20 0.63
LMNA P02545 4/20 0.62
HTT P42858 2/20 0.60
POLB P06746 1/20 0.60
HPGD P15428 1/20 0.60
HSD17B10 Q99714 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL3069004 0.79 NPC1 (0.66) MAPTRAB9ANPC1TP53ALDH1A1
SCHEMBL3075247 0.75 MAPT (0.77) MAPTRAB9ANPC1TP53ALDH1A1
SCHEMBL18711482 0.75 NPC1 (0.74) MAPTRAB9ANPC1TP53ALDH1A1
SCHEMBL13851537 0.75 NPC1 (0.50) MAPTRAB9ANPC1TP53ALDH1A1
SCHEMBL8526236 0.74 RAB9A (0.73) MAPTRAB9ANPC1TP53ALDH1A1
SCHEMBL3575472 0.74 NPC1 (0.64) MAPTRAB9ANPC1TP53ALDH1A1
SCHEMBL11165376 0.73 ALDH1A1 (0.69) MAPTRAB9ANPC1TP53ALDH1A1
SCHEMBL11783793 0.72 RAB9A (0.71) MAPTRAB9ANPC1TP53ALDH1A1
SCHEMBL7217567 0.72 RAB9A (0.71) MAPTRAB9ANPC1TP53ALDH1A1
SCHEMBL20964558 0.72 NPC1 (0.73) MAPTRAB9ANPC1TP53ALDH1A1

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-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
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 MAPT 10/4885RAB9A 2510/4885NPC1 200/4885

“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.