SCHEMBL21945050

SCHEMBL21945050

COc1cc(O)cc(-c2ccc(C(F)(F)F)cn2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.52
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
RAB9A P51151 6/20 0.41
NPC1 O15118 3/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
KIF11 P52732 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ABL1 P00519 1/20 0.38
ABCB1 P08183 1/20 0.38
BCR P11274 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38

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
SCHEMBL21945069 0.86 MAPK1 (0.48) KDM1AIDO1TDO2RAB9AKIF11
SCHEMBL21944938 0.85 KDM1A (0.45) KDM1AIDO1TDO2RAB9AKIF11
SCHEMBL21945524 0.82 KDM1A (0.63) KDM1AIDO1TDO2RAB9ANPC1
SCHEMBL21944904 0.81 PSEN1 (0.45) KDM1ACYP1A1
SCHEMBL21944613 0.81 KDM1A (0.42) KDM1ARAB9AKIF11KDM4ENPSR1
SCHEMBL21944831 0.81 KDM1A (0.42) KDM1ARAB9AKIF11KDM4ENPSR1
SCHEMBL18002768 0.80 GRM5 (0.59) KDM1ARAB9ANPC1KIF11SMN1; SMN2
SCHEMBL18002770 0.80 KDM1A (0.49) KDM1AIDO1TDO2RAB9ANPC1
SCHEMBL1416923 0.80 KDM4E (0.56) KDM1ARAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL30739004 0.79 RXFP1 (0.53) KDM1AIDO1TDO2RAB9ANPC1

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 KDM1A 1772/4885IDO1 2430/4885TDO2 2878/4885

“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.