SCHEMBL18006405

SCHEMBL18006405

N#Cc1[nH]nnc1-c1cccc(OCc2ccc(N3CCCC3=O)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.38
PARP1 P09874 3/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 2/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
DGAT2 Q96PD7 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
BRD4 O60885 1/20 0.35

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
SCHEMBL18006310 0.91 MAOA (0.38) PARP1FFAR1FFAR4LMNAHTT
SCHEMBL26071029 0.88 FFAR1 (0.39) PARP1DDB1CRBNFFAR1FFAR4
SCHEMBL18006330 0.81 NAAA (0.40) NAAAALDH1A1
SCHEMBL18006351 0.79 POLB (0.55)
SCHEMBL18006432 0.79 CYP11B1 (0.51) NAAAALDH1A1MAOAMAOB
SCHEMBL18005947 0.79 NAAA (0.47) NAAALMNATSHRHTTSMN1; SMN2
SCHEMBL18006352 0.79 POLB (0.49) FFAR1LMNA
SCHEMBL18005970 0.78 NR4A2 (0.46) NAAAALDH1A1HTTSMN1; SMN2MAOA
SCHEMBL18006329 0.77 PDE4B (0.41) NAAALMNAALDH1A1TSHRHTT
SCHEMBL18006381 0.76 CYP11B1 (0.42) NAAAALDH1A1

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 NAAA 1308/4885PARP1 3331/4885DDB1 1460/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 NAAA 1308/4885PARP1 3331/4885DDB1 1460/4885

“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.