SCHEMBL16398488

SCHEMBL16398488

N#Cc1cc(-c2ccsc2)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.50
RXRG P48443 1/20 0.50
KIF11 P52732 2/20 0.42
XDH P47989 1/20 0.42
GRM5 P41594 2/20 0.41
CYP2A6 P11509 3/20 0.39
TAS2R14 Q9NYV8 1/20 0.36
CYP2E1 P05181 1/20 0.35
CYP2B6 P20813 1/20 0.35
RET P07949 1/20 0.35
TOP1 P11387 1/20 0.34
KCNH2 Q12809 1/20 0.34
ERN1 O75460 1/20 0.33
CYP1A2 P05177 1/20 0.33
METAP2 P50579 1/20 0.33
PDK2 Q15119 1/20 0.33
CTSS P25774 1/20 0.33
APP P05067 1/20 0.33
BACE1 P56817 1/20 0.33
PSEN1 P49768 1/20 0.33

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
SCHEMBL4201985 0.83 CYP2A6 (0.50) CYP2A6CYP2E1CYP2B6KCNH2ERN1
SCHEMBL2782846 0.83 CYP2A6 (0.45) RXRARXRGCYP2A6CYP2E1CYP2B6
SCHEMBL28312712 0.77 CYP2A6 (0.44) CYP2A6CYP2E1CYP2B6KCNH2ERN1
SCHEMBL25991656 0.77 RXRA (0.62) RXRARXRGKIF11XDHTAS2R14
SCHEMBL4201635 0.76 CYP2A6 (0.49) CYP2A6CYP2E1CYP2B6KCNH2ERN1
SCHEMBL18002036 0.74 RXRA (0.59) RXRARXRGKIF11XDHTAS2R14
SCHEMBL25780896 0.74 RXRA (0.59) RXRARXRGKIF11XDHTAS2R14
SCHEMBL27479450 0.74 RXRA (0.59) RXRARXRGKIF11XDHTAS2R14
SCHEMBL16398471 0.74 CYP2A6 (0.34) RXRARXRGXDHGRM5CYP2A6
SCHEMBL29320291 0.73 RXRA (0.55) RXRARXRGKIF11XDHTAS2R14

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4570313-A2 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2025-06-18 EP disclosed
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
CN-105408325-B cyanotriazole compounds 大塚制药株式会社 2019-10-22 CN disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
EP-3022199-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2016-05-25 EP disclosed
CN-105408325-A Cyanotriazole compounds OTSUKA PHARMA CO LTD 2016-03-16 CN disclosed
WO-2015008872-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-22 WO 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 3206/4885KIF11 3245/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 RXRA 3077/4885RXRG 3206/4885KIF11 3245/4885

“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.