SCHEMBL22284752

SCHEMBL22284752

Cn1ncc(/C=C/C(=O)O)c1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.43
KDM4E B2RXH2 7/20 0.43
NPC1 O15118 7/20 0.43
SMN1; SMN2 Q16637 7/20 0.43
HPGD P15428 6/20 0.43
ALDH1A1 P00352 5/20 0.43
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
PTGS1 P23219 4/20 0.40
MAPT P10636 6/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 4/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
HCRTR1 O43613 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL30244634 0.82 KDM4E (0.37) RAB9AKDM4ENPC1SMN1; SMN2HPGD
SCHEMBL29174208 0.80 CCNC (0.47) RAB9AKDM4ENPC1SMN1; SMN2HPGD
SCHEMBL22284555 0.79 PTGS1 (0.49) RAB9AKDM4ENPC1SMN1; SMN2HPGD
SCHEMBL4836542 0.77 CCNC (0.46) RAB9AKDM4ENPC1SMN1; SMN2HPGD
SCHEMBL4836538 0.77 CCNC (0.46) RAB9AKDM4ENPC1SMN1; SMN2HPGD
SCHEMBL1356813 0.77 KDM4E (0.68) RAB9AKDM4ENPC1SMN1; SMN2HPGD
SCHEMBL1124345 0.77 KDM4E (0.68) RAB9AKDM4ENPC1SMN1; SMN2HPGD
SCHEMBL1044002 0.76 CYP11B2 (0.41) RAB9AKDM4ENPC1SMN1; SMN2HPGD
SCHEMBL22284700 0.76 CYP11B2 (0.36) RAB9AKDM4ENPC1SMN1; SMN2HPGD
SCHEMBL22298845 0.74 FBP1 (0.41) SMN1; SMN2HPGDALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11680057-B2 Pyrazole derivatives SYNGENTA CROP PROTECTION AG (CH) 2023-06-20 US claimed
US-11059806-B2 Pyrazole derivatives SYNGENTA CROP PROTECTION AG (CH) 2021-07-13 US disclosed
US-20200245625-A1 PYRAZOLE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2020-08-06 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 (3 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-11680057-B2 Pyrazole derivatives RB1, NQO2, RBX1 RAB9A 949/4885KDM4E 858/4885NPC1 3943/4885
US-20200245625-A1 PYRAZOLE DERIVATIVES RB1, NQO2, RBX1 RAB9A 949/4885KDM4E 858/4885NPC1 3943/4885
US-11059806-B2 Pyrazole derivatives RB1, NQO2, RBX1 RAB9A 949/4885KDM4E 858/4885NPC1 3943/4885

“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.