SCHEMBL3763588

SCHEMBL3763588

CC(C)(NC(N)=O)c1cccc(Cc2ccccc2Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 1/20 0.44
KCNJ5 P48544 1/20 0.44
KCNJ3 P48549 1/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.39
MMP1 P03956 1/20 0.38
MMP13 P45452 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTGES O14684 1/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
ACKR3 P25106 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
SCHEMBL8179700 0.78 SMN1; SMN2 (0.41) KCNJ6KCNJ5KCNJ3LMNATP53
SCHEMBL11056164 0.74 KCNJ5 (0.58) KCNJ6KCNJ5KCNJ3ALDH1A1LMNA
SCHEMBL11602877 0.72 TP53 (0.51) KDM4EALDH1A1LMNATP53CYP2C19
SCHEMBL11035296 0.72 KCNJ5 (0.58) KCNJ6KCNJ5KCNJ3ALDH1A1LMNA
SCHEMBL3667309 0.71 CYP3A4 (0.42) ALDH1A1TP53MMP1MMP13SMN1; SMN2
SCHEMBL2432243 0.71 MAPT (0.55) CYP2C19CYP3A4CYP1A2GAA
SCHEMBL9364175 0.69 KCNJ5 (0.58) KCNJ6KCNJ5KCNJ3ALDH1A1LMNA
Bicarbonate SCHEMBL27450694 0.68 RAB9A (0.50) ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL18821354 0.67 MAPT (0.44) KDM4EALDH1A1LMNASMN1; SMN2CYP2C19
SCHEMBL17156343 0.67 RXFP1 (0.48) CYP2C19CYP3A4CYP2C9CYP1A2

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-20100304971-A1 HERBICIDAL COMBINATION BAYER CROPSCIENCE AG (DE) 2010-12-02 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-20100304971-A1 HERBICIDAL COMBINATION DDT, AADAC, CYP1B1 KCNJ6 411/4885KCNJ5 480/4885KCNJ3 513/4885

“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.