SCHEMBL6605724

SCHEMBL6605724

COC(=O)Cc1c(C#Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(F)(F)F)nn1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.34
HPGD P15428 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
AKR1C3 P42330 1/20 0.33
MAPK1 P28482 1/20 0.33
IKBKE Q14164 1/20 0.33
S1PR1 P21453 1/20 0.33
TACR1 P25103 1/20 0.32
DYRK3 O43781 1/20 0.32
JAK2 O60674 1/20 0.32
ROCK2 O75116 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
SCHEMBL6608035 0.87 PTGDR2 (0.39) MEN1KMT2ANPC1PKMALDH1A1
SCHEMBL6604749 0.79 PTGDR2 (0.37) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL6603401 0.78 XPO1 (0.37) IKBKE
SCHEMBL7510079 0.77 PTGDR2 (0.43) PKMIKBKE
SCHEMBL6604835 0.73 MEN1 (0.37) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL6606222 0.72 NPC1 (0.39) MEN1KMT2ANPC1PKMALDH1A1
SCHEMBL1296063 0.67 HSP90AB1 (0.56) ALDH1A1MAPTLMNATACR1CYP2D6
SCHEMBL20592879 0.66 NPC1 (0.40) MEN1KMT2ANPC1PKMKDM4E
SCHEMBL6553779 0.64 NOTUM (0.41) MAPTLMNA
SCHEMBL8269026 0.60 LMNA (0.43) LMNAAKR1C3SYK

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-1219173-B1 INSECTICIDES AND ACARICIDES AGRO KANESHO CO LTD (JP) 2004-06-16 EP disclosed
US-20030191171-A1 Pyrazolyl compound AGRO-KANESHO CO., LTD. (JP) 2003-10-09 US disclosed
US-20020156115-A1 Insecticidal and acaricidal composition, and methods of using the same AGRO-KANESHO CO., LTD. (JP) 2002-10-24 US disclosed
EP-1219173-A1 INSECTICIDAL AND ACARICIDAL AGENTS Agro-Kanesho Co., Ltd. (JP) 2002-07-03 EP 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-20020156115-A1 Insecticidal and acaricidal composition, and methods of using the same GSTO1, CBR3, CBR1 MEN1 4152/4885KMT2A 4081/4885NPC1 889/4885
US-20030191171-A1 Pyrazolyl compound GSTO1, CBR3, GSTM1 MEN1 4418/4885KMT2A 3268/4885NPC1 1235/4885

“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.