SCHEMBL1611399

SCHEMBL1611399

COc1ccc(CNc2nc(C3CC3)nc(C(=O)O)c2Cl)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.47
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CYP1A2 P05177 6/20 0.43
CYP3A4 P08684 6/20 0.43
CYP2C19 P33261 6/20 0.43
TSHR P16473 6/20 0.43
CYP2C9 P11712 5/20 0.43
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HIF1A Q16665 2/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP2D6 P10635 4/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
USP2 O75604 2/20 0.42

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
SCHEMBL1609762 0.92 MAPT (0.44) KDM4CMEN1KMT2ACYP1A2CYP3A4
SCHEMBL13769420 0.90 MTNR1A (0.41) KDM4CALDH1A1HPGDKDM4EMAPT
SCHEMBL12713412 0.90 PDE10A (0.40) KDM4C
SCHEMBL12737605 0.83 APLNR (0.44) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL13769165 0.82 PDE10A (0.40) CYP3A4ALDH1A1HPGDKDM4ECYP2D6
SCHEMBL12712820 0.82 PDE10A (0.40) KDM4CCYP3A4HPGDCYP2D6MAPT
SCHEMBL1610305 0.79 PDE10A (0.44) ALDH1A1HSD17B10SMN1; SMN2HIF1AHPGD
SCHEMBL4866297 0.78 CYP1A2 (0.66) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL2683023 0.77 KDM4C (0.49) KDM4CMEN1KMT2ACYP1A2CYP3A4
SCHEMBL1610899 0.76 PDE10A (0.48) ALDH1A1MAPT

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-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 KDM4C 1637/4885MEN1 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.