SCHEMBL1783365

SCHEMBL1783365

CCCCCCCCCCCCCCC(=O)Nc1ccc2nccnc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.57
LMNA P02545 2/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
POLB P06746 2/20 0.56
HPGD P15428 5/20 0.55
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 4/20 0.55
HSD17B10 Q99714 4/20 0.55
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NOTUM Q6P988 1/20 0.52
TP53 P04637 2/20 0.51
CASP1 P29466 2/20 0.51
CASP7 P55210 2/20 0.51
GAA P10253 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL30702196 0.94 ALDH1A1 (0.57) SMN1; SMN2LMNANPC1RAB9APOLB
SCHEMBL28218368 0.88 MAPT (0.58) SMN1; SMN2LMNANPC1RAB9APOLB
SCHEMBL1782973 0.83 SMN1; SMN2 (0.54) SMN1; SMN2LMNANPC1RAB9APOLB
SCHEMBL30914249 0.83 ALDH1A1 (0.55) SMN1; SMN2NPC1RAB9APOLBHPGD
SCHEMBL25775259 0.83 HDAC1 (0.55) SMN1; SMN2NPC1RAB9APOLBHPGD
SCHEMBL30100249 0.83 HDAC1 (0.55) SMN1; SMN2NPC1RAB9APOLBHPGD
SCHEMBL29227032 0.83 ALDH1A1 (0.55) SMN1; SMN2NPC1RAB9APOLBHPGD
SCHEMBL30858825 0.83 HDAC6 (0.68) SMN1; SMN2LMNANPC1RAB9APOLB
SCHEMBL28167267 0.82 MAPT (0.61) SMN1; SMN2LMNANPC1RAB9APOLB
SCHEMBL8213846 0.82 NPC1 (0.66) SMN1; SMN2LMNANPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 166/4885LMNA 1017/4885NPC1 653/4885

“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.