SCHEMBL7082231

SCHEMBL7082231

S=C(c1ccc(Nc2ccc(Br)cc2Cl)cc1Cl)c1sccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
MAPT P10636 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
F10 P00742 2/20 0.35
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PKM P14618 1/20 0.33

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
SCHEMBL7076153 0.90 MAPK14 (0.53) ALDH1A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL7080366 0.90 MAPK14 (0.45) ALDH1A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL7080369 0.87 MAPK14 (0.43) ALDH1A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL7076774 0.87 MAPK13 (0.37) ALDH1A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL7077185 0.87 MAPK13 (0.37) ALDH1A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL7080479 0.86 MAPK13 (0.50) ALDH1A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL7080601 0.85 KMT2A (0.44) ALDH1A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL7081237 0.84 MAPK13 (0.39) ALDH1A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL7081240 0.84 MAPK13 (0.39) ALDH1A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL7076675 0.79 MAPK13 (0.47) ALDH1A1MAPK13MAPK12MAPK11MAPK14

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-20030073832-A1 Novel aminophenyl ketone derivatives LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2003-04-17 US claimed

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-20030073832-A1 Novel aminophenyl ketone derivatives MAPKAPK2, MAP3K2, MAP3K1 ALDH1A1 1960/4885MAPK13 33/4885MAPK12 36/4885

“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.