SCHEMBL3093045

SCHEMBL3093045

CNc1ccc(S(=O)(=O)NC2CCCC2)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNK1 Q9H4A3 2/20 0.56
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
KDM4E B2RXH2 1/20 0.54
RECQL P46063 1/20 0.54
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
LMNA P02545 1/20 0.51
GPR55 Q9Y2T6 1/20 0.51
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
GAA P10253 2/20 0.48
MAPK1 P28482 1/20 0.48
POLB P06746 1/20 0.48
TAS2R14 Q9NYV8 1/20 0.47
TDP1 Q9NUW8 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
SCHEMBL9796179 0.83 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL3098587 0.81 VCAM1 (0.61) WNK1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL17749260 0.81 WNK1 (0.67) WNK1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL29824739 0.81 WNK1 (0.67) WNK1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10389384 0.80 TP53 (0.61) WNK1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3098118 0.80 ALDH1A1 (0.58) ALDH1A1KMT2ASMN1; SMN2KDM4ERECQL
SCHEMBL3036711 0.78 VCAM1 (0.61) WNK1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL15646579 0.76 KMT2A (0.53) WNK1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL17749267 0.76 WNK1 (0.62) WNK1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2245974 0.75 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ALMNAPOLB

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
US-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 US disclosed
EP-2403852-B1 2-AMINOBENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-29 EP disclosed
CN-102341395-B 3H-imidazo [4,5-c ] pyridine-6-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INT 2014-07-30 CN disclosed
US-20130303571-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 US disclosed
US-20120196897-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 US disclosed
CN-102341395-A 3H-imidazo [4,5-c ] pyridine-6-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INT 2012-02-01 CN disclosed
US-20100256188-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 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 (3 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-20120196897-A1 NEW COMPOUNDS MTX1, LTB4R, RDX WNK1 3800/4885ALDH1A1 1761/4885MEN1 2565/4885
US-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX WNK1 3800/4885ALDH1A1 1761/4885MEN1 2565/4885
US-20100256188-A1 NEW COMPOUNDS MTX1, LTB4R, RDX WNK1 3800/4885ALDH1A1 1761/4885MEN1 2565/4885

“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.