SCHEMBL2861883

SCHEMBL2861883

COc1cccc(Nc2ccc(C(=O)c3cc([N+](=O)[O-])ccc3C)c(Cl)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
HTT P42858 2/20 0.53
GAA P10253 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAPK13 O15264 3/20 0.52
MAPK12 P53778 3/20 0.52
MAPK11 Q15759 3/20 0.52
MAPK14 Q16539 3/20 0.52
MAPT P10636 3/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
AKR1C3 P42330 2/20 0.51
AKR1C2 P52895 2/20 0.51
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
CTSV O60911 1/20 0.46

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
SCHEMBL2861025 0.91 MAPK1 (0.61) MAPK1HTTGAANPSR1MAPK13
SCHEMBL2852785 0.88 MAPK13 (0.56) MAPK1HTTMAPK13MAPK12MAPK11
SCHEMBL2856551 0.88 KMT2A (0.57) MAPK1HTTMAPK13MAPK12MAPK11
SCHEMBL2851981 0.86 MAPK13 (0.54) MAPK1HTTMAPK13MAPK12MAPK11
SCHEMBL2852712 0.85 MAPK13 (0.61) MAPK1HTTGAANPSR1MAPK13
SCHEMBL2856752 0.84 MAPK13 (0.54) MAPK1HTTGAANPSR1MAPK13
SCHEMBL2862040 0.83 MAPK13 (0.56) HTTGAAMAPK13MAPK12MAPK11
SCHEMBL1906382 0.83 MAPK14 (0.75) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2855113 0.81 MAPK14 (0.71) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2858700 0.80 MAPK13 (0.51) MAPK1HTTGAANPSR1MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 MAPK1 1523/4885HTT 3750/4885GAA 2450/4885

“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.