SCHEMBL1783878

SCHEMBL1783878

CCCCCCCCCCCCCCCNc1ccc2nc(CCCCCC)c(CCCC)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.47
KCNH3 Q9ULD8 2/20 0.45
ACHE P22303 4/20 0.37
TERT O14746 1/20 0.36
PLK1 P53350 1/20 0.36
MCHR1 Q99705 1/20 0.36
DNM2 P50570 1/20 0.36
S1PR2 O95136 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ELANE P08246 2/20 0.36
KCNH2 Q12809 1/20 0.36
BCHE P06276 2/20 0.36
GPR84 Q9NQS5 2/20 0.35

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
SCHEMBL1784168 0.80 ABL1 (0.44) ABL1KCNH3ACHETERTMCHR1
SCHEMBL1781479 0.78 SMN1; SMN2 (0.55) LMNASMN1; SMN2
SCHEMBL8216585 0.77 ABL1 (0.53) ABL1KCNH3ACHETERTPLK1
SCHEMBL18082993 0.77 NQO2 (0.47) ACHEKCNH2
SCHEMBL8212647 0.77 ABL1 (0.53) ABL1KCNH3ACHETERTPLK1
SCHEMBL8214084 0.77 ABL1 (0.53) ABL1KCNH3ACHETERTPLK1
SCHEMBL18083009 0.77 NQO2 (0.47) ACHEKCNH2
SCHEMBL1783191 0.77 ABL1 (0.47) ABL1KCNH3ACHETERTPLK1
SCHEMBL29578813 0.77 ABL1 (0.44) ABL1KCNH3ACHETERTPLK1
SCHEMBL1551894 0.76 KMT2A (0.49) SMN1; SMN2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445511-B2 Quinoline or quinoxaline derivatives for treating neurodegenerative diseases Centre National de la Recherche Scientifique (SNRS) (FR) 2013-05-21 US disclosed
US-20110118270-A1 HETEROCYCLIC DERIVATIVES THAT ARE USED IN THE TREATMENT OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE(CNRS) 2011-05-19 US 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-20110118270-A1 HETEROCYCLIC DERIVATIVES THAT ARE USED IN THE TREATMENT OF NEURODEGENERATIVE DISEASES HCRTR2, HCRTR1, CHRNA2 ABL1 3272/4885KCNH3 873/4885ACHE 848/4885

“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.