SCHEMBL6604749

SCHEMBL6604749

CCn1nc(C)c(C#Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1CC(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 3/20 0.36
AKR1C3 P42330 1/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GRM5 P41594 1/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NOTUM Q6P988 1/20 0.31
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL6604835 0.80 MEN1 (0.37) MEN1KMT2AHPGDAKR1C3ALDH1A1
SCHEMBL6605724 0.79 MEN1 (0.39) MEN1KMT2AHPGDAKR1C3ALDH1A1
SCHEMBL6603401 0.76 XPO1 (0.37) PTGDR2GRM5
SCHEMBL7510079 0.74 PTGDR2 (0.43) PTGDR2
SCHEMBL6607931 0.67 KDM4E (0.33) KMT2AGAAALDH1A1LMNAKDM4E
SCHEMBL7510983 0.67 AGBL2 (0.38) PTGDR2MEN1KMT2AALDH1A1
SCHEMBL6608035 0.66 PTGDR2 (0.39) PTGDR2MEN1KMT2AALDH1A1MAPT
SCHEMBL1296063 0.65 HSP90AB1 (0.56) GAAALDH1A1MAPTLMNANOTUM
SCHEMBL6553779 0.62 NOTUM (0.41) GAAMAPTLMNANOTUM
SCHEMBL17396787 0.61 KDM4E (0.48) MEN1KMT2AGAAALDH1A1MAPT

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 PTGDR2 1223/4885MEN1 4152/4885KMT2A 4081/4885
US-20030191171-A1 Pyrazolyl compound GSTO1, CBR3, GSTM1 PTGDR2 432/4885MEN1 4418/4885KMT2A 3268/4885

“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.