SCHEMBL18004264

SCHEMBL18004264

N#Cc1[nH]nnc1-c1ccc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 2/20 0.36
▸ RXRG P48443 2/20 0.36
▸ LTA4H P09960 2/20 0.34
▸ CTSS P25774 2/20 0.34
▸ CTSK P43235 2/20 0.34
▸ NAAA Q02083 1/20 0.34
▸ RXRB P28702 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TNF P01375 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NOD2 Q9HC29 1/20 0.33
▸ NOD1 Q9Y239 1/20 0.33
▸ DAO P14920 2/20 0.33
▸ GSR P00390 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31

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
SCHEMBL18003990 0.91 KIF11 (0.41) LTA4HCTSSCTSKNAAADAO
SCHEMBL18004377 0.90 CTSS (0.38) RXRARXRGCTSSCTSKNAAA
SCHEMBL18004996 0.88 CYP11B1 (0.46) RXRARXRGLTA4HMEN1TNF
SCHEMBL18004161 0.87 CNR1 (0.35) RXRARXRGCTSSCTSKMEN1
SCHEMBL18003964 0.87 RXRA (0.41) RXRARXRGCTSSCTSKNAAA
SCHEMBL18004375 0.86 MEN1 (0.37) LTA4HCTSSCTSKMEN1TNF
SCHEMBL18004159 0.84 NOTUM (0.38) CTSSCTSKDAO
SCHEMBL18004000 0.83 CTSS (0.43) RXRARXRGCTSSCTSKNAAA
SCHEMBL1250478 0.82 KIF11 (0.50) CTSSCTSKDAOGSRKIF11
SCHEMBL18003986 0.82 IDH1 (0.36) LTA4HCTSSCTSKDAOKIF11

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 RXRA 3077/4885RXRG 3206/4885LTA4H 4154/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 RXRA 3077/4885RXRG 3206/4885LTA4H 4154/4885

“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.

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