SCHEMBL718324

SCHEMBL718324

C=Cc1c(N)nc(-c2ccc(Cl)c(N(C)C)c2F)nc1C(=O)OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 3/20 0.36
MAOB P27338 2/20 0.36
ADORA2A P29274 2/20 0.36
MAPK1 P28482 1/20 0.34
HTT P42858 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
NPY1R P25929 1/20 0.34
RECQL P46063 1/20 0.34
NPY2R P49146 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PKM P14618 1/20 0.34
GPBAR1 Q8TDU6 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KMT2A Q03164 1/20 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
SCHEMBL119092 0.89 KMT2A (0.35) MAPTALDH1A1HPGDKDM4EMAPK1
SCHEMBL11031540 0.88 MAPT (0.39) MAPTTHRBALDH1A1KDM4EMAOB
SCHEMBL10087230 0.88 GAA (0.33) MAPTALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL719703 0.88 ALDH1A1 (0.32) MAPTALDH1A1HPGDKDM4EHTT
SCHEMBL10087235 0.87
SCHEMBL10087234 0.87
SCHEMBL10087231 0.86 LMNA (0.36) MAPTALDH1A1KDM4EMAPK1L3MBTL1
SCHEMBL119041 0.85 KDM4E (0.33) ALDH1A1KDM4EL3MBTL1PKMKMT2A
SCHEMBL719772 0.85 MAPT (0.31) MAPTTDP1
SCHEMBL721807 0.84 TDP1 (0.30) TDP1

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
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 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 (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-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES DPYD, DHODH, TYMP MAPT 2842/4885THRB 1526/4885ALDH1A1 1043/4885
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION TYMS, DHFR, UNG MAPT 1617/4885THRB 2027/4885ALDH1A1 3537/4885

“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.