SCHEMBL6690839

SCHEMBL6690839

CCn1c2ccccc2c2nnc(-n3nc(C)cc3C)nc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.72
L3MBTL1 Q9Y468 3/20 0.72
NPC1 O15118 2/20 0.72
RAB9A P51151 1/20 0.72
ALDH1A1 P00352 8/20 0.62
TSHR P16473 6/20 0.62
POLB P06746 4/20 0.62
LMNA P02545 3/20 0.62
KMT2A Q03164 3/20 0.62
MAPK1 P28482 3/20 0.62
MEN1 O00255 2/20 0.62
ALOX15 P16050 2/20 0.62
XBP1 P17861 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
TP53 P04637 4/20 0.53
GAA P10253 2/20 0.53
HSD17B10 Q99714 4/20 0.51
USP2 O75604 2/20 0.51
CASP1 P29466 2/20 0.51
CASP7 P55210 2/20 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
SCHEMBL6688798 0.89 MAPT (0.70) MAPTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL6686983 0.87 MAPT (0.68) MAPTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL6687343 0.84 MAPT (1.00) MAPTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL14366839 0.82 ALDH1A1 (0.76) MAPTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL6688843 0.79 ALDH1A1 (0.82) MAPTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL14366833 0.77 ALDH1A1 (0.69) MAPTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL5606330 0.77 ALDH1A1 (1.00) MAPTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL6689688 0.76 ALDH1A1 (0.76) MAPTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL6688812 0.74 ALDH1A1 (0.73) MAPTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL6688823 0.74 ALDH1A1 (0.69) MAPTL3MBTL1NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004096808-A1 TRIAZINE COMPOUNDS AND THEIR USE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-11-11 WO claimed
US-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE EDIGENE BIOTECHNOLOGY, INC. (CN) 2021-07-22 US disclosed
WO-2004096808-A1 TRIAZINE COMPOUNDS AND THEIR USE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-11-11 WO 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-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE AHR, ARNT, ARSA MAPT 4875/4885L3MBTL1 2252/4885NPC1 1022/4885

“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.