SCHEMBL2200547

SCHEMBL2200547

Cc1ccc([N+](=O)[O-])cc1C(=O)c1ccc(Br)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MAPK1 P28482 3/20 0.50
GAA P10253 2/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 6/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
RORC P51449 2/20 0.46
MEN1 O00255 3/20 0.46
MAPK13 O15264 2/20 0.44
MAPK12 P53778 2/20 0.44
MAPK11 Q15759 2/20 0.44
MAPK14 Q16539 2/20 0.44

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
SCHEMBL2199345 0.95 KMT2A (0.54) KMT2AMAPK1GAAHTTNPSR1
SCHEMBL2862890 0.88 RAB9A (0.50) KMT2AHTTMAPTRAB9ASMN1; SMN2
SCHEMBL2852689 0.88 KMT2A (0.54) KMT2AMAPK1GAAHTTNPSR1
SCHEMBL5175977 0.84 KMT2A (0.56) KMT2AMAPK1GAAHTTNPSR1
SCHEMBL7039277 0.81 GAA (0.61) KMT2AMAPK1GAAHTTNPSR1
SCHEMBL5173228 0.80 MAPK13 (0.61) KMT2AMAPK1GAAHTTNPSR1
SCHEMBL2855075 0.79 MAPK1 (0.59) KMT2AMAPK1GAAHTTNPSR1
SCHEMBL2197570 0.79 MAPT (0.50) KMT2AMAPK1GAAHTTNPSR1
SCHEMBL7593343 0.78 KMT2A (0.57) KMT2AMAPK1GAAHTTNPSR1
SCHEMBL10730672 0.78 MAPK1 (0.69) KMT2AMAPK1GAAHTTNPSR1

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 14 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-1658263-B9 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2011-11-09 EP disclosed
US-7977387-B2 Aminobenzophenone compounds LEO PHARMA A/S (DK) 2011-07-12 US disclosed
CN-1826310-B Novel aminobenzophenone compounds LEO PHARMA AS 2010-07-21 CN disclosed
EP-1658263-B1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2010-06-02 EP 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
EP-1828148-A1 TRIAZOLE SUBSTITUTED AMINOBENZOPHENONE COMPOUNDS Leo Pharma A/S (DK) 2007-09-05 EP disclosed
US-20060166990-A1 Novel aminobenzophenone compounds LEO PHARMA A/S (DK) 2006-07-27 US disclosed
WO-2006063585-A1 TRIAZOLE SUBSTITUTED AMINOBENZOPHENONE COMPOUNDS LEO PHARMA A/S (DK) 2006-06-22 WO disclosed
US-20060128766-A1 Triazole substituted aminobenzophenone compounds LEO PHARMA A/S (DK) 2006-06-15 US disclosed
EP-1658263-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS Leo Pharma A/S (DK) 2006-05-24 EP disclosed
WO-2005009940-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA A/S (DK) 2005-02-03 WO 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 (2 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 KMT2A 3297/4885MAPK1 1523/4885GAA 2450/4885
US-20060166990-A1 Novel aminobenzophenone compounds NFKBIA, UACA, ALDH7A1 KMT2A 3430/4885MAPK1 523/4885GAA 2276/4885

“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.