SCHEMBL719703

SCHEMBL719703

C=CCOC(=O)c1nc(-c2ccc(Cl)c(N(C)C)c2F)nc(N)c1C=C

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 2/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
CYP3A4 P08684 1/20 0.30
PKM P14618 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
SCHEMBL10087234 0.94
SCHEMBL119092 0.93 KMT2A (0.35) ALDH1A1HSD17B10TSHRMAPTKDM4E
SCHEMBL10087230 0.91 GAA (0.33) ALDH1A1HSD17B10MAPTKDM4ELMNA
SCHEMBL10087235 0.90
SCHEMBL10087231 0.89 LMNA (0.36) ALDH1A1HSD17B10TSHRMAPTKDM4E
SCHEMBL719376 0.89 KDM4E (0.34) ALDH1A1HSD17B10KDM4E
SCHEMBL119041 0.89 KDM4E (0.33) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL719772 0.88 MAPT (0.31) MAPT
SCHEMBL719670 0.88 L3MBTL1 (0.31)
SCHEMBL718324 0.88 MAPT (0.38) ALDH1A1MAPTKDM4EHTTKMT2A

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-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 ALDH1A1 1043/4885HSD17B10 2183/4885TSHR 1099/4885
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION TYMS, DHFR, UNG ALDH1A1 3537/4885HSD17B10 3547/4885TSHR 2909/4885

“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.