SCHEMBL2862890

SCHEMBL2862890

Cc1cc(Br)ccc1C(=O)c1cc([N+](=O)[O-])ccc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
PAX8 Q06710 2/20 0.50
RECQL P46063 1/20 0.50
ALDH1A1 P00352 9/20 0.49
MAPT P10636 5/20 0.49
TDP1 Q9NUW8 3/20 0.49
LMNA P02545 6/20 0.48
CYP3A4 P08684 5/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
HTT P42858 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
TSHR P16473 2/20 0.47
CYP2D6 P10635 1/20 0.47

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) RAB9AALDH1A1MAPTTDP1MEN1
SCHEMBL2199345 0.85 KMT2A (0.54) RAB9AALDH1A1MAPTTDP1MEN1
SCHEMBL27909691 0.83 ALDH1A1 (0.62) RAB9APAX8RECQLALDH1A1MAPT
SCHEMBL12424016 0.80 ALDH1A1 (0.59) RAB9APAX8RECQLALDH1A1MAPT
SCHEMBL13473770 0.77 RAB9A (0.45) RAB9APAX8RECQLALDH1A1MAPT
SCHEMBL2855620 0.76 MAPT (0.45) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL1671461 0.75 KMT2A (0.60) RAB9APAX8ALDH1A1MAPTTDP1
SCHEMBL6554357 0.75 ALDH1A1 (0.60) ALDH1A1MAPTTDP1LMNACYP3A4
SCHEMBL31415352 0.75 ALDH1A1 (0.60) ALDH1A1MAPTTDP1LMNACYP3A4
SCHEMBL501960 0.75 ALDH1A1 (0.63) ALDH1A1MAPTTDP1CYP3A4MEN1

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 8 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
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 RAB9A 2288/4885PAX8 4306/4885RECQL 1494/4885

“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.