SCHEMBL4074932

SCHEMBL4074932

CC(C)(C)c1ccc(-c2nc3nc(-c4ccc(C(C)(C)C)cc4)sc3s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.56
NOD1 Q9Y239 1/20 0.56
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPT P10636 4/20 0.48
KIF11 P52732 3/20 0.44
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HPGD P15428 3/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL13801076 0.80 TNF (0.59) TNFNOD1NPC1RAB9AKDM4E
SCHEMBL14062423 0.75 NPC1 (0.75) TNFNOD1NPC1RAB9AKDM4E
SCHEMBL7805156 0.75 NPC1 (0.75) TNFNOD1NPC1RAB9AKDM4E
SCHEMBL15746019 0.75 TNF (0.61) TNFNOD1NPC1RAB9AKDM4E
SCHEMBL25027881 0.74 TNF (0.71) TNFNOD1NPC1RAB9AKDM4E
SCHEMBL15706264 0.74 TNF (0.53) TNFNOD1NPC1RAB9AKDM4E
SCHEMBL7898934 0.74 NPC1 (0.72) TNFNOD1NPC1RAB9AKDM4E
SCHEMBL11436304 0.74 APP (0.52) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL4071808 0.74 APP (0.42) NPC1RAB9AKDM4EMAPTHDAC6
SCHEMBL6473576 0.73 TNF (0.51) TNFNOD1NPC1RAB9AKDM4E

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-20090156827-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS AND ORGANIC ELECTROLUMINESCENT ELEMENT TOYO INK MFG. CO., LTD. (JP) 2009-06-18 US disclosed
EP-2025733-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ORGANIC ELECTROLUMINESCENCE ELEMENT TOYO INK MFG. CO., LTD. (JP) 2009-02-18 EP 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-20090156827-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS AND ORGANIC ELECTROLUMINESCENT ELEMENT ELP1, ELAVL1, ELF3 TNF 4688/4885NOD1 2291/4885NPC1 2208/4885

“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.