SCHEMBL25232016

SCHEMBL25232016

Cn1nc(/C=C/C(=O)O)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.44
▸ GAA P10253 2/20 0.44
▸ KDM4E B2RXH2 6/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CCNC P24863 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ MAPK1 P28482 4/20 0.35
▸ HSD17B10 Q99714 4/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ HDAC3 O15379 2/20 0.33
▸ HDAC4 P56524 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HCAR2 Q8TDS4 2/20 0.33
▸ HDAC7 Q8WUI4 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ HDAC10 Q969S8 2/20 0.33
▸ HDAC11 Q96DB2 2/20 0.33
▸ HDAC8 Q9BY41 2/20 0.33

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
SCHEMBL9135145 0.81 ALDH1A1 (0.53) L3MBTL1ALDH1A1GAAKDM4ELMNA
SCHEMBL22708300 0.76 NOS2 (0.33) —
SCHEMBL22284505 0.76 PKM (0.48) L3MBTL1ALDH1A1GAAKDM4ELMNA
SCHEMBL28626528 0.76 PKM (0.48) L3MBTL1ALDH1A1GAAKDM4ELMNA
SCHEMBL22284683 0.74 APP (0.30) MAPTAPP
SCHEMBL22284512 0.72 L3MBTL1 (0.49) L3MBTL1ALDH1A1GAAKDM4ECCNC
SCHEMBL22298846 0.71 FBP1 (0.40) ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL16468579 0.68 RPA1 (0.40) L3MBTL1ALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL1124471 0.68 HDAC1 (0.54) L3MBTL1ALDH1A1GAAKDM4ELMNA
SCHEMBL1358017 0.68 HDAC1 (0.54) L3MBTL1ALDH1A1GAAKDM4ELMNA

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 1 patent. 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

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-11680057-B2 Pyrazole derivatives RB1, NQO2, RBX1 L3MBTL1 4093/4885ALDH1A1 1492/4885GAA 2855/4885

“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.

Send feedback