SCHEMBL5747544

SCHEMBL5747544

Cc1cc([N+](=O)[O-])cc(CBr)c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
CYP3A4 P08684 5/20 0.46
TDP1 Q9NUW8 3/20 0.46
HTT P42858 2/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 4/20 0.44
GPR35 Q9HC97 1/20 0.43
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP19A1 P11511 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
ACHE P22303 2/20 0.35
HSD17B10 Q99714 1/20 0.35
PDE2A O00408 1/20 0.35
PDE5A O76074 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL31490717 1.00 ALDH1A1 (0.46) ALDH1A1CYP3A4TDP1HTTPOLB
SCHEMBL14287871 0.87 HTT (0.56) ALDH1A1CYP3A4TDP1HTTPOLB
SCHEMBL27734374 0.86 ALDH1A1 (0.43) ALDH1A1CYP3A4TDP1HTTPOLB
SCHEMBL2011166 0.84 ALDH1A1 (0.49) ALDH1A1CYP3A4TDP1HTTPOLB
SCHEMBL2659395 0.82 ALDH1A1 (0.57) ALDH1A1CYP3A4TDP1HTTPOLB
SCHEMBL8791047 0.81 ALDH1A1 (0.46) ALDH1A1CYP3A4TDP1HTTPOLB
SCHEMBL5746519 0.80 CYP1A2 (0.49) ALDH1A1CYP3A4TDP1HTTPOLB
SCHEMBL5746824 0.80 ALDH1A1 (0.41) ALDH1A1CYP3A4TDP1HTTPOLB
SCHEMBL13583170 0.78 ALDH1A1 (0.41) ALDH1A1CYP3A4TDP1HTTPOLB
SCHEMBL13583169 0.78 ALDH1A1 (0.41) ALDH1A1CYP3A4TDP1HTTPOLB

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
EP-1735280-A1 ARYL SULFONAMIDE AND SULFONYL COMPOUNDS AS MODULATORS OF PPAR AND METHODS OF TREATING METABOLIC DISORDERS Kalypsys, Inc. (US) 2006-12-27 EP disclosed
WO-2005115983-A1 ARYL SULFONAMIDE AND SULFONYL COMPOUNDS AS MODULATORS OF PPAR AND METHODS OF TREATING METABOLIC DISORDERS KALYPSYS, INC. (US) 2005-12-08 WO disclosed
US-20050234046-A1 Aryl sulfonamide and sulfonyl compounds as modulators of PPAR and methods of treating metabolic disorders KALYPSYS, INC. (US) 2005-10-20 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-20050234046-A1 Aryl sulfonamide and sulfonyl compounds as modulators of PPAR and methods of treating metabolic disorders PPARA, PPARG, PPARD ALDH1A1 883/4885CYP3A4 823/4885TDP1 3496/4885

“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.