SCHEMBL2858700

SCHEMBL2858700

Cc1ccc([N+](=O)[O-])cc1C(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 6/20 0.51
MAPK12 P53778 6/20 0.51
MAPK11 Q15759 6/20 0.51
MAPK14 Q16539 6/20 0.51
KIF11 P52732 1/20 0.47
MPO P05164 1/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 4/20 0.44
P2RX1 P51575 1/20 0.43
TMPRSS4 Q9NRS4 1/20 0.43
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MCL1 Q07820 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL2856752 0.88 MAPK13 (0.54) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL2861025 0.84 MAPK1 (0.61) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL2851981 0.83 MAPK13 (0.54) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL2856551 0.83 KMT2A (0.57) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL2852785 0.83 MAPK13 (0.56) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL2858392 0.83 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14
SCHEMBL2855113 0.81 MAPK14 (0.71) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL2866413 0.80 MAPK13 (0.60) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL2859207 0.80 MAPK13 (0.69) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL6653318 0.80 MAPK13 (0.75) MAPK13MAPK12MAPK11MAPK14KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101115728-B Triazole substituted aminobenzophenone compounds LEO PHARMA AS 2012-12-19 CN disclosed
US-8293772-B2 Triazole substituted aminobenzophenone compounds LEO PHARMA A/S (DK) 2012-10-23 US disclosed
EP-1828148-B1 TRIAZOLE SUBSTITUTED AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2010-01-20 EP disclosed
CN-101115728-A Triazole substituted aminobenzophenone compounds LEO PHARMA AS (DK) 2008-01-30 CN disclosed
US-20060128766-A1 Triazole substituted aminobenzophenone compounds LEO PHARMA A/S (DK) 2006-06-15 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-20060128766-A1 Triazole substituted aminobenzophenone compounds NFKBIA, UACA, CYP1B1 MAPK13 1436/4885MAPK12 1829/4885MAPK11 919/4885

“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.