SCHEMBL1609507

SCHEMBL1609507

COc1c(Cl)ccc(-c2nc(NCc3ccco3)c(Cl)c(C(=O)O)n2)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
HIF1A Q16665 2/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
PDE5A O76074 2/20 0.39
POLB P06746 3/20 0.38
RAB9A P51151 1/20 0.38
THRB P10828 1/20 0.38
REN P00797 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
F2 P00734 1/20 0.37
TSHR P16473 1/20 0.37
CTNNB1 P35222 1/20 0.37

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
SCHEMBL1610274 0.93 ALDH1A1 (0.42) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL22181356 0.90 MAPT (0.42) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL2683142 0.89 KMT2A (0.41) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL21584477 0.88 ALDH1A1 (0.41) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL21584337 0.86 LMNA (0.41) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL1609593 0.85 ALDH1A1 (0.42) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL1610795 0.85 ALDH1A1 (0.42) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL118741 0.84 MAPT (0.39) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL1610020 0.83 ALDH1A1 (0.44) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL25273221 0.83 SMN1; SMN2 (0.40) MAPTMEN1KMT2ALMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020133403-A1 SUBSTITUTED PYRIMIDINE ARYL ESTER DERIVATIVE, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND APPLICATION THEREOF 青岛清原化合物有限公司 2020-07-02 WO disclosed
WO-2019227771-A1 SUBSTITUTED PYRIMIDINE-4-FORMIC ACID DERIVATIVE, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 (CN) 2019-12-05 WO disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
WO-2009081112-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-02 WO 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 (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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 MAPT 2800/4885MEN1 3860/4885KMT2A 2003/4885

“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.