SCHEMBL1472412

SCHEMBL1472412

O=C(Nc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.71
MEN1 O00255 10/20 0.71
GAA P10253 1/20 0.65
NPC1 O15118 1/20 0.65
MAPT P10636 2/20 0.63
DDIT3 P35638 1/20 0.59
RAB9A P51151 1/20 0.59
ALDH1A1 P00352 1/20 0.59
MAPK1 P28482 1/20 0.59
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58

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
SCHEMBL16919784 0.94 KMT2A (0.81) KMT2AMEN1GAANPC1MAPT
SCHEMBL1471880 0.87 KMT2A (0.80) KMT2AMEN1GAANPC1ALDH1A1
SCHEMBL1474049 0.86 LMNA (0.78) KMT2AMEN1MAPTALDH1A1
SCHEMBL16085419 0.79 GAA (1.00) KMT2AMEN1GAANPC1ALDH1A1
SCHEMBL16919774 0.79 KMT2A (0.90) KMT2AMEN1GAANPC1ALDH1A1
SCHEMBL7129116 0.78 KMT2A (1.00) KMT2AMEN1NPC1MAPTDDIT3
SCHEMBL2719072 0.78 POLB (0.67) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL11831902 0.77 MEN1 (0.65) KMT2AMEN1NPC1MAPTRAB9A
SCHEMBL16061362 0.76 KMT2A (0.81) KMT2AMEN1GAANPC1MAPT
SCHEMBL16919773 0.74 DDIT3 (1.00) KMT2AMEN1GAANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915293-B2 Carbocyclic and heterocyclic sulfonamide derivatives, e.g., N-(2-bromo-5-(trifluoromethoxy)phenyl)-3,5-dichloro-4-(2-chloro-4-nitrophenoxy)benzenesulfonamide and 4-(2-(trifluoromethyl)phenoxy)-1-(3-trifluoromethyl)phenylsulfonyl)piperidine; treating proliferative diseases RIGEL PHARMACEUTICALS, INC. (US) 2011-03-29 US claimed
EP-1651595-A2 UBIQUITIN LIGASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2006-05-03 EP claimed
WO-2005007621-A2 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-01-27 WO claimed
US-20050009871-A1 Ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. 2005-01-13 US claimed
US-7915293-B2 Carbocyclic and heterocyclic sulfonamide derivatives, e.g., N-(2-bromo-5-(trifluoromethoxy)phenyl)-3,5-dichloro-4-(2-chloro-4-nitrophenoxy)benzenesulfonamide and 4-(2-(trifluoromethyl)phenoxy)-1-(3-trifluoromethyl)phenylsulfonyl)piperidine; treating proliferative diseases RIGEL PHARMACEUTICALS, INC. (US) 2011-03-29 US disclosed
US-20050009871-A1 Ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. 2005-01-13 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-20050009871-A1 Ubiquitin ligase inhibitors NEDD4, STUB1, UBE3A KMT2A 1014/4885MEN1 3441/4885GAA 343/4885

“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.