SCHEMBL18006404

SCHEMBL18006404

N#Cc1[nH]nnc1-c1cccc(OCCCc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAOB P27338 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
USP7 Q93009 1/20 0.35
MAOA P21397 1/20 0.34
FFAR1 O14842 1/20 0.33
MCL1 Q07820 1/20 0.33
CYP19A1 P11511 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32

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
SCHEMBL18004926 0.87 GPR84 (0.37) KDM4ENPC1HPGDRAB9ASMN1; SMN2
SCHEMBL18004884 0.86 QPCT (0.35) KDM4ENPC1HPGDRAB9ASMN1; SMN2
SCHEMBL18004882 0.86 SIRT2 (0.41) KDM4EMAOBSIRT2
SCHEMBL26071027 0.85 SIRT2 (0.39) KDM4ENPC1HPGDRAB9ASMN1; SMN2
SCHEMBL18006387 0.84 KDM4E (0.41) KDM4EMAOBSIRT2CYP11B1CYP11B2
SCHEMBL18003511 0.84 NAAA (0.39) KDM4EMAOBCYP11B1CYP11B2MAOA
SCHEMBL18004908 0.84 QPCT (0.35) KDM4ENPC1HPGDRAB9ASMN1; SMN2
SCHEMBL18004886 0.83 QPCT (0.36) KDM4ENPC1HPGDRAB9ASMN1; SMN2
SCHEMBL18006390 0.83 MGAT2 (0.41) MAOBCYP11B1CYP11B2USP7MAOA
SCHEMBL18004436 0.82 NR4A2 (0.41) KDM4EMAOBCYP11B1USP7PDE4A

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
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 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 (2 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 DAO 732/4885KDM4E 2681/4885NPC1 1062/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 DAO 732/4885KDM4E 2681/4885NPC1 1062/4885

“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.