SCHEMBL10118322

SCHEMBL10118322

Cc1cc(Cl)cc(C(=O)NC(C)C)c1NC(=O)c1cc(CNS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1-c1ncccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
GPBAR1 Q8TDU6 3/20 0.35
ACLY P53396 2/20 0.35
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.33
HTR6 P50406 4/20 0.33
DHODH Q02127 1/20 0.32
ELANE P08246 1/20 0.32
MAPT P10636 1/20 0.32
KCNH2 Q12809 1/20 0.31

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
SCHEMBL10136626 0.95 POLB (0.37) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL10136612 0.95 ALDH1A1 (0.35) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL10118329 0.93 ALDH1A1 (0.37) ALDH1A1GPBAR1ACLYPDK1PDK2
SCHEMBL10136581 0.92 CCR8 (0.35) ALDH1A1GPBAR1ACLYPDK1PDK2
SCHEMBL10136641 0.92 ALDH1A1 (0.34) ALDH1A1DHODHELANE
SCHEMBL10136627 0.92 ALDH1A1 (0.39) ALDH1A1LMNAHTR6DHODHELANE
SCHEMBL10136248 0.91 LMNA (0.41) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL10136243 0.91 ALDH1A1 (0.40) ALDH1A1LMNAHTR6DHODHMAPT
SCHEMBL10136915 0.90 TP53 (0.36) ALDH1A1TP53LMNAHTR6MAPT
SCHEMBL10136314 0.90 HTR6 (0.39) ALDH1A1TP53LMNAHTR6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791139-B2 Anthranilic diamide derivatives BAYER CROPSCIENCE AG (DE) 2014-07-29 US disclosed
US-8791139-B2 Anthranilic diamide derivatives BAYER CROPSCIENCE AG (DE) 2014-07-29 US disclosed
US-20120015980-A1 ANTHRANILIC DIAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-01-19 US disclosed
US-20120015980-A1 ANTHRANILIC DIAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-01-19 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-20120015980-A1 ANTHRANILIC DIAMIDE DERIVATIVES DDT, QDPR, ANTXR2 ALDH1A1 732/4885GPBAR1 1758/4885ACLY 27/4885

“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.