SCHEMBL1472314

SCHEMBL1472314

CN1CCN(S(=O)(=O)c2ccc(Oc3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.59
MAPK1 P28482 4/20 0.59
TDP1 Q9NUW8 1/20 0.59
SMN1; SMN2 Q16637 5/20 0.54
VCAM1 P19320 1/20 0.53
RECQL P46063 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TRPM8 Q7Z2W7 1/20 0.46
TRPV4 Q9HBA0 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
FAAH O00519 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL1471984 0.87 LMNA (0.57) LMNAMAPK1TDP1SMN1; SMN2RECQL
SCHEMBL27713061 0.79 ALDH1A1 (0.56) LMNAMAPK1TDP1SMN1; SMN2MEN1
SCHEMBL2975919 0.77 LMNA (0.57) LMNAMAPK1TDP1SMN1; SMN2VCAM1
SCHEMBL1474354 0.76 ALDH1A1 (0.75) LMNASMN1; SMN2VCAM1RECQLALDH1A1
SCHEMBL27718379 0.76 KIF11 (0.58) LMNAMAPK1TDP1SMN1; SMN2MEN1
SCHEMBL26970150 0.75 ALDH1A1 (0.70) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11052251 0.75 ALDH1A1 (0.71) LMNASMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL27719014 0.75 KIF11 (0.50) LMNAMAPK1TDP1SMN1; SMN2MEN1
SCHEMBL28775045 0.73 KIF11 (0.56) LMNAMAPK1TDP1SMN1; SMN2MEN1
SCHEMBL27736769 0.72 ALDH1A1 (0.58) LMNAMAPK1TDP1MEN1KMT2A

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 LMNA 4028/4885MAPK1 2781/4885TDP1 1933/4885

“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.