SCHEMBL6754374

SCHEMBL6754374

O=C(Nc1cnc(NCc2ccccn2)c(Cl)c1)c1cccc(-c2ccc(F)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC4 P56524 1/20 0.45
KCNQ3 O43525 2/20 0.44
KCNQ2 O43526 2/20 0.44
KCNQ5 Q9NR82 1/20 0.44
KMT2A Q03164 2/20 0.44
GLA P06280 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
MET P08581 1/20 0.44
ADCY8 P40145 1/20 0.43
ADCY1 Q08828 1/20 0.43
KCNA5 P22460 2/20 0.43
KCNH2 Q12809 2/20 0.43
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL6754416 0.85 CSF1R (0.45) NPC1HDAC1HDAC6HDAC4KMT2A
SCHEMBL6759818 0.84 NPC1 (0.53) NPC1KMT2AGLAMAPTHTT
SCHEMBL6756561 0.79 NPC1 (0.49) NPC1KMT2AGLAMAPTHTT
SCHEMBL6759807 0.77 KMT2A (0.43) NPC1HDAC1HDAC6HDAC4KMT2A
SCHEMBL6754353 0.75 MAPT (0.42) NPC1KMT2AGLAMAPTHTT
SCHEMBL6757898 0.73 NPC1 (0.42) NPC1HDAC1HDAC6HDAC4KMT2A
SCHEMBL26704091 0.73 POLB (0.59) NPC1KMT2ALMNAPOLBRAB9A
SCHEMBL6754321 0.73 GLA (0.42) NPC1KMT2AGLAMAPTHTT
SCHEMBL6756593 0.71 RAB9A (0.44) NPC1KMT2AGLAMAPTHTT
SCHEMBL26703945 0.71 LMNA (0.63) NPC1KMT2AGLAMAPTHTT

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-20040087798-A1 Novel amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 US disclosed
EP-1264820-A1 NOVEL AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 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-20040087798-A1 Novel amide compounds H1-2, H1-0, H1-3 NPC1 2667/4885HDAC1 12/4885HDAC6 311/4885

“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.