SCHEMBL4085100

SCHEMBL4085100

C(=C/c1ccccc1)\Nc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.54
RAB9A P51151 9/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
PKM P14618 5/20 0.54
TP53 P04637 2/20 0.54
MAPT P10636 3/20 0.45
CASP1 P29466 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPK10 P53779 1/20 0.44
GFER P55789 1/20 0.44
FABP1 P07148 1/20 0.43
FABP6 P51161 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MITF O75030 1/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL4085102 1.00 NPC1 (0.54) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL13763536 0.83 NPC1 (0.59) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL4006196 0.83 MEN1 (0.42) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL4006200 0.83 MEN1 (0.42) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL13688463 0.83 MEN1 (0.42) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL1855728 0.80 RAB9A (0.49) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL7112014 0.78 NFE2L2 (0.46) NPC1RAB9ASMN1; SMN2PKMMAPT
SCHEMBL7112013 0.78 NFE2L2 (0.46) NPC1RAB9ASMN1; SMN2PKMMAPT
SCHEMBL7136008 0.78 NPC1 (0.54) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL19112427 0.76 NPC1 (0.53) NPC1RAB9ASMN1; SMN2PKMTP53

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-20090036457-A1 Utilities of olefin derivatives YAMAMORI TERUO 2009-02-05 US disclosed
US-20040242615-A1 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2004-12-02 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 (2 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-20040242615-A1 Utilities of olefin derivatives APOL1, NR1H2, APOB NPC1 19/4885RAB9A 4723/4885SMN1; SMN2 1814/4885
US-20090036457-A1 Utilities of olefin derivatives APOL1, APOB, NR1H2 NPC1 48/4885RAB9A 4606/4885SMN1; SMN2 1978/4885

“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.