SCHEMBL18006186

SCHEMBL18006186

N#Cc1[nH]nnc1-c1cc(OCc2cccc3ccccc23)cc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALOX5 P09917 1/20 0.36
PARP10 Q53GL7 2/20 0.34
LTA4H P09960 1/20 0.34
PLA2G2A P14555 1/20 0.34
NR1H2 P55055 5/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FFAR1 O14842 1/20 0.33
AKR1B1 P15121 1/20 0.33
NR1H3 Q13133 2/20 0.33
PARP15 Q460N3 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
SCHEMBL18004444 0.87 GRIN1 (0.37) SMN1; SMN2FFAR1
SCHEMBL18004407 0.87 MAOB (0.39) ALOX5NR1H2NR1H3
SCHEMBL18004323 0.86 ALOX5AP (0.42) NPC1RAB9ANR1H2MAPTNR1H3
SCHEMBL18004114 0.86 KMT2A (0.40) SMN1; SMN2KMT2AFFAR1
SCHEMBL18004410 0.85 NR1H2 (0.36) NR1H2LMNANR1H3TDP1
SCHEMBL18006203 0.85 ALOX5AP (0.41) CNR1ALOX5NR1H2MAPTNPSR1
SCHEMBL16400186 0.85 CD274 (0.36) PARP10
SCHEMBL18004117 0.85 KDM4E (0.38) MAPT
SCHEMBL18004313 0.84 MAOB (0.39) NR1H2MEN1KMT2ANR1H3
SCHEMBL18006175 0.84 MRGPRX4 (0.35) NR1H2KMT2ANR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 CNR2 2599/4885CNR1 2229/4885NPC1 1062/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 CNR2 2599/4885CNR1 2229/4885NPC1 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.