SCHEMBL6406685

SCHEMBL6406685

CCc1ccccc1C(=O)ONC(=O)CCl

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 3/20 0.42
F2R P25116 1/20 0.42
CLCN2 P51788 1/20 0.41
UTS2R Q9UKP6 1/20 0.40
TSHR P16473 1/20 0.40
TP53 P04637 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HSD17B10 Q99714 2/20 0.38
CFTR P13569 1/20 0.38
MIF P14174 1/20 0.38
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL28229486 0.84 F2R (0.55) ALDH1A1LMNAHTTF2RCLCN2
SCHEMBL27900511 0.82 ALDH1A1 (0.49) ALDH1A1LMNAHTTF2RCLCN2
SCHEMBL11207843 0.82 ALDH1A1 (0.49) ALDH1A1LMNAHTTF2RCLCN2
SCHEMBL5724688 0.80 ALDH1A1 (0.46) ALDH1A1LMNAHTTF2RCLCN2
SCHEMBL9623495 0.80 EPHX2 (0.47) ALDH1A1LMNATSHRTP53HDAC3
SCHEMBL11528403 0.78 ALDH1A1 (0.47) ALDH1A1LMNAHTTF2RCLCN2
SCHEMBL27798143 0.78 ALDH1A1 (0.62) ALDH1A1HTTCLCN2MIFKMT2A
SCHEMBL11207349 0.78 ALDH1A1 (0.62) ALDH1A1HTTCLCN2MIFKMT2A
SCHEMBL27351517 0.77 HPGD (0.53) ALDH1A1LMNAHTTF2RTSHR
Hydrochloric Acid SCHEMBL6379952 0.77 ALDH1A1 (0.46) ALDH1A1LMNAHTTF2RCLCN2

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-20050165068-A1 Compounds, in particularly of urea derivatives or esters of haloacetamidobenzoic acid and use thereof for the treatment of parasitic diseases LEPAPE PATRICE (FR) 2005-07-28 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-20050165068-A1 Compounds, in particularly of urea derivatives or esters of haloacetamidobenzoic acid and use thereof for the treatment of parasitic diseases TBCA, GBA1, SLC14A1 ALDH1A1 157/4885LMNA 2613/4885HTT 727/4885

“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.