SCHEMBL2684385

SCHEMBL2684385

C=Cc1c(NCc2ccc(OC)cc2OC)nc(-c2ccc(Cl)c(N(C)C)c2F)nc1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 16/20 0.42
CYP3A4 P08684 16/20 0.42
CYP2C19 P33261 16/20 0.42
CYP2D6 P10635 13/20 0.42
TSHR P16473 12/20 0.42
HSD17B10 Q99714 8/20 0.42
LMNA P02545 8/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 10/20 0.41
CYP2C9 P11712 7/20 0.41
ALOX15 P16050 4/20 0.41
HIF1A Q16665 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 4/20 0.40
USP2 O75604 8/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL10087225 0.92 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL2683612 0.90 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL10087226 0.84 CTNNB1 (0.41) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL2684380 0.82 ADORA3 (0.35) CYP1A2CYP3A4CYP2C19HSD17B10LMNA
SCHEMBL10087222 0.82 HSP90AA1 (0.36) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL2684322 0.82 HTT (0.40) CYP1A2CYP3A4CYP2C19CYP2D6LMNA
SCHEMBL10087223 0.81 ALDH1A1 (0.37) TSHRHSD17B10LMNASMN1; SMN2MAPT
SCHEMBL11902944 0.80 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL2684115 0.79 JAK3 (0.33) MAPTALDH1A1MEN1KMT2A
SCHEMBL11902580 0.79 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C19CYP2D6TSHR

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-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 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 (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-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION TYMS, DHFR, UNG CYP1A2 860/4885CYP3A4 2326/4885CYP2C19 2129/4885

“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.