SCHEMBL5078987

SCHEMBL5078987

Cc1ccccc1Nc1ncccc1C(N)=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.70
MAPT P10636 4/20 0.70
HTT P42858 2/20 0.70
ALDH1A1 P00352 5/20 0.70
RAB9A P51151 4/20 0.70
HPGD P15428 2/20 0.70
NPC1 O15118 3/20 0.63
AHR P35869 1/20 0.63
KDM4E B2RXH2 2/20 0.54
HSD17B10 Q99714 1/20 0.54
SYK P43405 1/20 0.53
MAP4K2 Q12851 1/20 0.53
LMNA P02545 2/20 0.52
DHODH Q02127 3/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KCNH2 Q12809 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL13748719 0.87 SMN1; SMN2 (0.53) SMN1; SMN2MAPTHTTALDH1A1RAB9A
SCHEMBL9494555 0.85 SMN1; SMN2 (0.77) SMN1; SMN2MAPTHTTALDH1A1RAB9A
SCHEMBL7272538 0.84 KDM4E (0.66) SMN1; SMN2MAPTHTTALDH1A1RAB9A
SCHEMBL13134029 0.83 SMN1; SMN2 (0.50) SMN1; SMN2MAPTHTTALDH1A1RAB9A
SCHEMBL30240978 0.80 SYK (0.57) SMN1; SMN2MAPTHTTALDH1A1RAB9A
SCHEMBL538171 0.80 KMT2A (0.51) SMN1; SMN2MAPTHTTALDH1A1RAB9A
SCHEMBL4642709 0.79 CLCN2 (0.59) MAPTALDH1A1RAB9AHPGDNPC1
SCHEMBL7982557 0.79 NPC1 (0.52) MAPTHTTALDH1A1RAB9AHPGD
SCHEMBL479805 0.78 DHODH (0.76) SMN1; SMN2MAPTHTTALDH1A1RAB9A
SCHEMBL29898269 0.78 RAB9A (1.00) SMN1; SMN2MAPTHTTALDH1A1RAB9A

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
CN-105939998-A Heteroaryl compounds as btk inhibitors and uses thereof 默克专利有限公司 2016-09-14 CN disclosed
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine GLAXO GROUP LIMITED 2008-06-05 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-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine CNR2, CNR1, PDE4A SMN1; SMN2 3540/4885MAPT 3180/4885HTT 4329/4885

“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.