SCHEMBL1783245

SCHEMBL1783245

CCCCCCCCCCCCCCC(=O)Nc1ccc2ncc(CCCC)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
RAB9A P51151 3/20 0.52
LMNA P02545 2/20 0.52
NPC1 O15118 2/20 0.52
POLB P06746 1/20 0.51
HPGD P15428 4/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 3/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46

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
SCHEMBL1781479 0.82 SMN1; SMN2 (0.55) SMN1; SMN2RAB9ALMNANPC1POLB
SCHEMBL1783365 0.81 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ALMNANPC1POLB
SCHEMBL1782973 0.81 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ALMNANPC1POLB
SCHEMBL8213846 0.77 NPC1 (0.66) SMN1; SMN2RAB9ALMNANPC1POLB
SCHEMBL30702196 0.76 ALDH1A1 (0.57) SMN1; SMN2RAB9ALMNANPC1POLB
SCHEMBL30702132 0.75 ALDH1A1 (0.52) SMN1; SMN2RAB9ALMNANPC1POLB
SCHEMBL30858825 0.73 HDAC6 (0.68) SMN1; SMN2RAB9ALMNANPC1POLB
SCHEMBL30444576 0.73 HDAC1 (0.81) SMN1; SMN2RAB9ALMNANPC1POLB
SCHEMBL5621888 0.73 LMNA (0.63) SMN1; SMN2RAB9ALMNANPC1POLB
SCHEMBL9510547 0.73 ENPP2 (0.71) SMN1; SMN2RAB9ALMNANPC1POLB

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 SMN1; SMN2 166/4885RAB9A 2344/4885LMNA 1017/4885

“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.