SCHEMBL861076

SCHEMBL861076

Nc1ccn(-c2nc3ccccc3[nH]2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MASP2 O00187 1/20 0.49
NUDT1 P36639 1/20 0.49
AOC3 Q16853 1/20 0.49
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
RAB9A P51151 7/20 0.47
NPC1 O15118 6/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
MAPT P10636 5/20 0.47
TP53 P04637 4/20 0.47
GLA P06280 3/20 0.47
HPGD P15428 3/20 0.47
LMNA P02545 1/20 0.47
NFKB1 P19838 1/20 0.47
CASP3 P42574 1/20 0.47
CCR6 P51684 1/20 0.47
NFKB2 Q00653 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
SCHEMBL546101 0.73 EGLN1 (0.51) ALDH1A1MEN1KMT2AMASP2NUDT1
SCHEMBL7018102 0.73 BCHE (0.50) ALDH1A1MEN1KMT2AMASP2NUDT1
SCHEMBL17054456 0.73 EGLN1 (0.51) ALDH1A1MEN1KMT2AMASP2NUDT1
SCHEMBL25429336 0.73 SMN1; SMN2 (0.56) ALDH1A1MEN1KMT2AMASP2NUDT1
SCHEMBL18321301 0.73 EGLN1 (0.62) ALDH1A1MEN1KMT2AMASP2NUDT1
SCHEMBL11030252 0.72 BCHE (0.49) ALDH1A1MEN1KMT2AMASP2NUDT1
Hydrochloric Acid SCHEMBL18321261 0.72 EGLN1 (0.60) ALDH1A1MEN1KMT2AMASP2NUDT1
SCHEMBL3389271 0.72 BCHE (0.56) ALDH1A1MEN1KMT2AMASP2NUDT1
SCHEMBL7027117 0.70 HTR3A (0.53) ALDH1A1MEN1KMT2AMASP2NUDT1
SCHEMBL3591723 0.69 HTR3A (0.51) ALDH1A1MEN1KMT2AMASP2NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440705-B2 2,3,4,7,8,9-hexahydro-1H-cyclopenta[h]quinolin-2-one or 2,3,4,6,7,8-hexahydro-1H-cyclopenta[g]quinolin-2-one; Alzheimer's disease WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2013-05-14 US disclosed
EP-2433634-A2 Compounds, compositions and methods of inhibiting a-synuclein toxicity The Whitehead Institute for Biomedical Research (US) 2012-03-28 EP disclosed
EP-1802303-B1 COMPOUNDS, COMPOSITIONS AND METHODS OF INHIBITING A-SYNUCLEIN TOXICITY WHITEHEAD BIOMEDICAL INST (US) 2011-11-02 EP disclosed
US-7951957-B2 Substituted benzimidazoles and their use for inducing apoptosis BASILEA PHARMACEUTICA AG (CH) 2011-05-31 US disclosed
EP-1723138-B1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE FOR INDUCING APOPTOSIS BASILEA PHARMACEUTICA AG (CH) 2010-07-14 EP disclosed
US-20080287681-A1 Substituted Benzimidazoles and their Use for Inducing Apoptosis EBERLE MARTIN 2008-11-20 US disclosed
US-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2008-10-23 US disclosed
US-7423157-B2 Substituted benzimidazoles and their use for inducing apoptosis BASILEA PHARMACEUTICA AG (CH) 2008-09-09 US disclosed
US-20070167505-A1 Substituted benzimidazoles and their use for inducing apoptosis BASILEA PHARMACEUTICA AG 2007-07-19 US disclosed
EP-1802303-A2 COMPOUNDS, COMPOSITIONS AND METHODS OF INHIBITING A-SYNUCLEIN TOXICITY WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2007-07-04 EP disclosed
US-20070066670-A1 Substituted benzimidazoles and their use for inducing apoptosis BASILEA PHARMACEUTICA AG 2007-03-22 US disclosed
EP-1723138-A1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE FOR INDUCING APOPTOSIS Basilea Pharmaceutica AG (CH) 2006-11-22 EP disclosed
WO-2006034003-A2 COMPOUNDS, COMPOSITIONS AND METHODS OF INHIBITING A-SYNUCLEIN TOXICITY WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2006-03-30 WO disclosed
WO-2005077939-A1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE FOR INDUCING APOPTOSIS BASILEA PHARMACEUTICA AG (CH) 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 (4 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-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity SNCA, PARK7, HTT ALDH1A1 171/4885MEN1 4741/4885KMT2A 1570/4885
US-20070167505-A1 Substituted benzimidazoles and their use for inducing apoptosis BAX, BCL2, BAD ALDH1A1 1220/4885MEN1 2023/4885KMT2A 2445/4885
US-20070066670-A1 Substituted benzimidazoles and their use for inducing apoptosis BAX, BCL2, BAD ALDH1A1 1220/4885MEN1 2023/4885KMT2A 2445/4885
US-20080287681-A1 Substituted Benzimidazoles and their Use for Inducing Apoptosis BAX, BCL2, BAD ALDH1A1 1220/4885MEN1 2023/4885KMT2A 2445/4885

“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.