SCHEMBL6709835

SCHEMBL6709835

COc1ccc2cc(C(=O)Nc3ccc(C#N)cc3-c3noc(=O)[nH]3)[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
RXFP1 Q9HBX9 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 2/20 0.41
FLT3 P36888 3/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 1/20 0.39
MAP3K5 Q99683 1/20 0.39
PRNP P04156 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6707805 0.93 KDM4E (0.49) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL6712124 0.87 KDM4E (0.47) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL6711774 0.87 ALOX15 (0.43) KMT2ARXFP1MEN1
SCHEMBL6711395 0.87 FLT3 (0.48) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL6710053 0.86 FLT3 (0.43) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL6710284 0.86 NPC1 (0.46) NPC1RAB9AKDM4EALDH1A1GAA
SCHEMBL6710058 0.83 KDM4E (0.42) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL6708020 0.82 KMT2A (0.47) NPC1RAB9AKMT2AKDM4EMAPT
SCHEMBL6709183 0.81 MAPT (0.44) NPC1RAB9AKMT2AALDH1A1RXFP1
SCHEMBL6713406 0.80 NPC1 (0.41) NPC1RAB9AHDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 NPC1 3891/4885RAB9A 3732/4885KMT2A 3181/4885

“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.