SCHEMBL2852689

SCHEMBL2852689

O=C(c1ccc(Br)cc1Cl)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
MAPK1 P28482 6/20 0.51
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
GAA P10253 2/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 1/20 0.50
RORC P51449 5/20 0.49
MEN1 O00255 3/20 0.49
LMNA P02545 2/20 0.49
CYP3A4 P08684 2/20 0.49
PPARG P37231 2/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL2200547 0.88 KMT2A (0.50) KMT2AMAPK1MAPTSMN1; SMN2NPC1
SCHEMBL10953243 0.86 HSD17B10 (0.62) KMT2AMAPK1MAPTSMN1; SMN2NPSR1
SCHEMBL10334085 0.85 KMT2A (0.56) KMT2AMAPK1MAPTSMN1; SMN2NPSR1
SCHEMBL2199345 0.82 KMT2A (0.54) KMT2AMAPK1MAPTSMN1; SMN2NPC1
SCHEMBL9383327 0.82 RORC (0.61) KMT2AMAPK1MAPTSMN1; SMN2NPSR1
SCHEMBL10730672 0.81 MAPK1 (0.69) KMT2AMAPK1MAPTSMN1; SMN2NPC1
SCHEMBL2855075 0.79 MAPK1 (0.59) KMT2AMAPK1MAPTSMN1; SMN2NPC1
SCHEMBL10902402 0.77 NPSR1 (0.71) KMT2AMAPK1MAPTSMN1; SMN2NPC1
SCHEMBL2197547 0.77 ALDH1A1 (0.46) MAPK1MAPTNPC1RAB9AGAA
SCHEMBL14744568 0.77 LMNA (0.53) KMT2AMAPK1MAPTSMN1; SMN2NPC1

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 7 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
EP-1828148-A1 TRIAZOLE SUBSTITUTED AMINOBENZOPHENONE COMPOUNDS Leo Pharma A/S (DK) 2007-09-05 EP 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

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 KMT2A 3297/4885MAPK1 1523/4885MAPT 2321/4885

“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.