SCHEMBL708983

SCHEMBL708983

C(=Cc1ccccn1)c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 1.00
RAB9A P51151 4/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
CYP11B1 P15538 1/20 0.68
CYP11B2 P19099 1/20 0.68
ATM Q13315 1/20 0.61
GRM4 Q14833 1/20 0.58
GRM5 P41594 1/20 0.53
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
JUN P05412 1/20 0.50
NFKB1 P19838 1/20 0.50
MAPK1 P28482 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
PTGS1 P23219 2/20 0.49
PTGS2 P35354 2/20 0.49
ALOX5 P09917 1/20 0.49

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
SCHEMBL29663567 1.00 NPC1 (1.00) NPC1RAB9AMEN1KMT2ACYP11B1
SCHEMBL708982 1.00 NPC1 (1.00) NPC1RAB9AMEN1KMT2ACYP11B1
SCHEMBL709965 0.89 NPC1 (0.80) NPC1RAB9AMEN1KMT2ACYP11B1
SCHEMBL709964 0.89 NPC1 (0.80) NPC1RAB9AMEN1KMT2ACYP11B1
SCHEMBL710451 0.87 NPC1 (0.77) NPC1RAB9AMEN1KMT2ACYP11B1
SCHEMBL710452 0.87 NPC1 (0.77) NPC1RAB9AMEN1KMT2ACYP11B1
SCHEMBL11180576 0.85 NPC1 (0.73) NPC1RAB9AMEN1KMT2ACYP11B1
SCHEMBL30596295 0.84 NPC1 (0.72) NPC1RAB9AMEN1KMT2ACYP11B1
Pyridine SCHEMBL27723525 0.84 MEN1 (0.72) NPC1RAB9AMEN1KMT2ACYP11B1
SCHEMBL29691623 0.83 CYP11B1 (0.86) NPC1RAB9AMEN1KMT2ACYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114716463-B Light response complex and preparation method and application thereof 淮阴师范学院 2024-02-06 CN claimed
CN-115403598-A Photosensitive semiconductor material and preparation method and application thereof 淮阴师范学院 2022-11-29 CN claimed
CN-114716463-A Photoresponse complex and preparation method and application thereof 淮阴师范学院 2022-07-08 CN claimed
CN-114716463-B Light response complex and preparation method and application thereof 淮阴师范学院 2024-02-06 CN disclosed
CN-115403598-A Photosensitive semiconductor material and preparation method and application thereof 淮阴师范学院 2022-11-29 CN disclosed
CN-114716463-A Photoresponse complex and preparation method and application thereof 淮阴师范学院 2022-07-08 CN disclosed
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 4723/4885MEN1 3997/4885
US-20090036457-A1 Utilities of olefin derivatives APOL1, APOB, NR1H2 NPC1 48/4885RAB9A 4606/4885MEN1 3163/4885

“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.