SCHEMBL1609555

SCHEMBL1609555

COC(=O)c1nc(C2CC2)nc(N(C)c2ccccc2[N+](=O)[O-])c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPK1 P28482 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
ABCC4 O15439 1/20 0.36
PLIN1 O60240 1/20 0.36
CACNA1F O60840 1/20 0.36
GMNN O75496 1/20 0.36
KCNK2 O95069 1/20 0.36
ABCB11 O95342 1/20 0.36
GSR P00390 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL1608874 0.86 SLC6A3 (0.39) ALDH1A1MAPTKDM4EMAPK1KMT2A
SCHEMBL1609761 0.85 RXRA (0.36) ALDH1A1KDM4EMAPK1KMT2ALMNA
SCHEMBL2681599 0.85 MAPT (0.40) ALDH1A1MAPTKDM4EMAPK1KMT2A
SCHEMBL1610302 0.85 NTSR1 (0.38) MAPK1TP53TSHRSMN1; SMN2POLB
SCHEMBL1609071 0.85 SLC6A3 (0.33) ALDH1A1MAPTKDM4EMAPK1KMT2A
SCHEMBL11902745 0.84 ALDH1A1 (0.33) ALDH1A1MAPTKDM4EMAPK1KMT2A
SCHEMBL1609455 0.83 KMT2A (0.39) ALDH1A1KDM4EKMT2ASMN1; SMN2HTT
SCHEMBL1609778 0.82 RBP4 (0.37) MAPTKMT2ACYP1A2CYP3A4ADORA3
SCHEMBL11902799 0.81 ALDH1A1 (0.34) ALDH1A1MAPTKDM4EMAPK1KMT2A
SCHEMBL11902803 0.81 ALDH1A1 (0.34) ALDH1A1MAPTKDM4EMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 US disclosed
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 (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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 ALDH1A1 1562/4885MAPT 2800/4885KDM4E 2613/4885
US-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO ALDH1A1 718/4885MAPT 4272/4885KDM4E 3599/4885

“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.