SCHEMBL1789932

SCHEMBL1789932

[c]1cccc2nc(-c3cnc4ccccc4n3)cnc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.46
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
BCHE P06276 1/20 0.46
CYP1A2 P05177 1/20 0.45
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPK10 P53779 2/20 0.45
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ADORA3 P0DMS8 5/20 0.44
ADORA1 P30542 2/20 0.44
ADORA2A P29274 1/20 0.44
MAPT P10636 3/20 0.41
PDE10A Q9Y233 1/20 0.40
MEN1 O00255 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL29966674 0.80 NPC1 (0.63) NPC1RAB9ASMN1; SMN2BCHECYP1A2
SCHEMBL3076524 0.80 NPC1 (0.63) NPC1RAB9ASMN1; SMN2BCHECYP1A2
SCHEMBL29614829 0.80 NPC1 (0.63) NPC1RAB9ASMN1; SMN2BCHECYP1A2
SCHEMBL29942654 0.80 NPC1 (0.63) NPC1RAB9ASMN1; SMN2BCHECYP1A2
SCHEMBL713066 0.76 NPC1 (0.47) NPC1RAB9ASMN1; SMN2BCHECYP1A2
SCHEMBL6097808 0.75 NPC1 (0.46) NPC1RAB9ASMN1; SMN2BCHECYP1A2
SCHEMBL25712 0.74 MAPT (0.52) NPC1RAB9ASMN1; SMN2CYP1A2KDM4E
SCHEMBL7972525 0.74 CYP1A2 (0.41) NPC1RAB9ACYP1A2ALDH1A1
SCHEMBL7976285 0.74 ALDH1A1 (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4843280 0.74 BCHE (0.30) BCHE

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
CN-117024369-A Multiple host materials and organic electroluminescent device comprising the same 罗门哈斯电子材料韩国有限公司 2023-11-10 CN disclosed
US-8592611-B2 Trioxane dimer sulfur compounds THE JOHNS HOPKINS UNIVERSITY (US) 2013-11-26 US disclosed
US-20110124603-A1 Trioxane Dimer Sulfur Compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-05-26 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-20110124603-A1 Trioxane Dimer Sulfur Compounds HCCS, SQOR, SFXN1 NPC1 3900/4885RAB9A 2333/4885SMN1; SMN2 495/4885

“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.