SCHEMBL19626596

SCHEMBL19626596

CCCCn1cc(-c2ccc(Cl)c(Cl)c2)nc1C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 13/20 0.48
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
F2RL3 Q96RI0 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
SCHEMBL19627040 0.85 NPC1 (0.44) NPC1RAB9ASMN1; SMN2KDM4ENFKB1
SCHEMBL19625421 0.83 TLR8 (0.45) TLR8NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL19626753 0.78 NPC1 (0.46) NPC1RAB9ASMN1; SMN2KDM4ENFKB1
SCHEMBL19627021 0.77 KMO (0.48) NPC1RAB9ASMN1; SMN2KDM4ENFKB1
SCHEMBL14269022 0.77 TLR8 (0.50) TLR8CASP3SENP8SENP7SENP6
SCHEMBL28294098 0.74 SIGMAR1 (0.40) NPC1RAB9ASMN1; SMN2KDM4ENFKB1
SCHEMBL17626091 0.72 SIGMAR1 (0.39) TLR8NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL20245195 0.72 ALDH1A1 (0.47) TLR8ALDH1A1LMNAKMT2A
SCHEMBL19625413 0.70 NPC1 (0.41) TLR8NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL14269011 0.69 TLR8 (0.49) TLR8CASP3SENP8SENP7SENP6

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-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 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-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 TLR8 1574/4885NPC1 2489/4885RAB9A 3162/4885

“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.