SCHEMBL710066

SCHEMBL710066

C(=C/c1cc2ccccc2[nH]1)\c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
ATM Q13315 1/20 0.55
CYP2A6 P11509 1/20 0.53
IDO1 P14902 2/20 0.51
MAPT P10636 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
FGFR1 P11362 1/20 0.50
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
AMY1A P0DUB6 1/20 0.45
GRM4 Q14833 1/20 0.45
ATP6V1B1 P15313 1/20 0.43
GRIN2D O15399 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
SCHEMBL710067 1.00 NPC1 (0.55) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL2776711 1.00 NPC1 (0.55) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL26467443 0.90 CYP2A6 (0.50) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL2458423 0.85 CYP2A6 (0.69) NPC1RAB9ACYP2A6IDO1MAPT
SCHEMBL2458425 0.85 CYP2A6 (0.69) NPC1RAB9ACYP2A6IDO1MAPT
SCHEMBL1288081 0.79 CYP2A6 (0.49) NPC1RAB9ACYP2A6IDO1MAPT
SCHEMBL1287946 0.79 CYP2A6 (0.49) NPC1RAB9ACYP2A6IDO1MAPT
SCHEMBL1287945 0.79 CYP2A6 (0.49) NPC1RAB9ACYP2A6IDO1MAPT
SCHEMBL2464022 0.78 CYP2A6 (0.47) NPC1RAB9ACYP2A6IDO1MAPT
SCHEMBL2460390 0.78 CYP2A6 (0.47) NPC1RAB9AKMT2ACYP2A6IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124625-B2 enhancing the expression of apoAI; prevention or therapy of dislipidemia SHIONOGI & CO., LTD. (JP) 2012-02-28 US disclosed
US-8053445-B2 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2011-11-08 US disclosed
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 4723/4885KMT2A 3382/4885
US-20090036457-A1 Utilities of olefin derivatives APOL1, APOB, NR1H2 NPC1 48/4885RAB9A 4606/4885KMT2A 3744/4885

“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.