SCHEMBL6904494

SCHEMBL6904494

O=C(NC(N(C(=O)CCl)c1ccccc1)C(Cl)(Cl)Cl)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.58
KDM4E B2RXH2 1/20 0.58
ATM Q13315 1/20 0.58
LMNA P02545 6/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
TP53 P04637 1/20 0.55
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
TRPA1 O75762 1/20 0.43
CTRB1 P17538 2/20 0.41
GLA P06280 1/20 0.41
PAX8 Q06710 1/20 0.41

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
SCHEMBL11554403 0.74 ALDH1A1 (0.60) ALDH1A1KDM4EATMLMNASMN1; SMN2
SCHEMBL392370 0.72 LMNA (0.55) ALDH1A1KDM4EATMLMNASMN1; SMN2
Propachlor SCHEMBL65571 0.72 ALDH1A1 (1.00) ALDH1A1KDM4ELMNASMN1; SMN2TP53
Propachlor SCHEMBL1701162 0.72 ALDH1A1 (1.00) ALDH1A1KDM4ELMNASMN1; SMN2TP53
SCHEMBL4679419 0.70 HPGD (0.69) ALDH1A1KDM4EATMLMNASMN1; SMN2
SCHEMBL4682930 0.70 LMNA (0.64) ALDH1A1KDM4EATMLMNASMN1; SMN2
SCHEMBL6626711 0.70 LMNA (0.51) ALDH1A1KDM4EATMLMNASMN1; SMN2
SCHEMBL9869949 0.69 ALDH1A1 (0.75) ALDH1A1KDM4ELMNASMN1; SMN2TP53
SCHEMBL22387594 0.69 ALDH1A1 (0.70) ALDH1A1KDM4ELMNASMN1; SMN2TP53
SCHEMBL9869948 0.69 ALDH1A1 (0.75) ALDH1A1KDM4ELMNASMN1; SMN2TP53

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-20040248958-A1 Heterocyclic amide derivatives BAYER CROPSCIENCE AG (DE) 2004-12-09 US disclosed
EP-1265852-A1 SUBSTITUTED IMIDE DERIVATIVES Bayer CropScience AG (DE) 2002-12-18 EP disclosed
WO-2001056975-A1 SUBSTITUTED IMIDE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2001-08-09 WO 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-20040248958-A1 Heterocyclic amide derivatives DDT, CYP2E1, CYP1A1 ALDH1A1 116/4885KDM4E 1089/4885ATM 3315/4885

“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.