SCHEMBL6607931

SCHEMBL6607931

CCn1nc(C)c(I)c1CC(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 2/20 0.32
KDM5B Q9UGL1 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 2/20 0.31
HSD17B10 Q99714 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
HSP90AB1 P08238 1/20 0.31
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.30

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
SCHEMBL26926755 0.75 GAA (0.37) KDM4ESMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL106227 0.74 KDM4E (0.38) KDM4ESMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL26926696 0.74 GAA (0.36) KDM4ESMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL24773708 0.74 ADORA2A (0.39) SMN1; SMN2LMNAGAAHTTADORA2A
SCHEMBL26924428 0.68 NPC1 (0.44) KDM4ESMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL20066399 0.68 KDM4E (0.36) KDM4ESMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL19436510 0.68 KMT2A (0.44) KDM4ESMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL840368 0.68 HPGD (0.39) KDM4ESMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL26927265 0.67 CYP1A2 (0.32) KDM4ESMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL1028298 0.67 MAPT (0.40) KDM4EALDH1A1LMNAGAAHTT

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 KDM4E 2776/4885RECQL 3408/4885SMN1; SMN2 396/4885
US-20030191171-A1 Pyrazolyl compound GSTO1, CBR3, GSTM1 KDM4E 2533/4885RECQL 3870/4885SMN1; SMN2 703/4885

“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.