SCHEMBL3609153

SCHEMBL3609153

O=C(Cl)c1cc2cc([N+](=O)[O-])ccc2o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.59
MAOB P27338 4/20 0.57
MAOA P21397 2/20 0.57
CA12 O43570 2/20 0.56
CA9 Q16790 2/20 0.56
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
F12 P00748 1/20 0.48
ALDH1A1 P00352 5/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 3/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MMP2 P08253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 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
SCHEMBL30100149 0.86 MAOA (0.67) POLBMAOBMAOACA12CA9
SCHEMBL4001852 0.86 POLB (0.69) POLBMAOBMAOACA12CA9
SCHEMBL654558 0.86 MAOA (0.67) POLBMAOBMAOACA12CA9
Hydrochloric Acid SCHEMBL7803214 0.84 POLB (0.68) POLBMAOBMAOACA12CA9
SCHEMBL3488219 0.84 CA12 (0.68) POLBMAOBMAOACA12CA9
SCHEMBL31290976 0.84 CA12 (0.68) POLBMAOBMAOACA12CA9
SCHEMBL6239637 0.83 POLB (0.58) POLBMAOBMAOACA12CA9
SCHEMBL14423946 0.82 CA12 (0.57) POLBMAOBMAOACA12CA9
SCHEMBL24885803 0.81 POLB (0.56) POLBMAOBMAOACA12CA9
SCHEMBL2102040 0.81 NPC1 (0.56) POLBMAOBMAOACA12CA9

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
WO-2013175499-A2 POLYMORPHIC FORM OF 5-(4-[4-(5-CYANO-1H-INDOL-3- YL)BUTYL]PIPERAZIN-1-YL) BENZOFURAN-2-CARBOXAMIDE CADILA HEALTHCARE LIMITED (IN) 2013-11-28 WO disclosed
US-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same WYETH (US) 2010-06-03 US disclosed
EP-1692124-B1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH CORP (US) 2008-10-15 EP disclosed
US-7420001-B2 Biaryl sulfonamides and methods for using same WYETH (US) 2008-09-02 US disclosed
EP-1692124-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS Wyeth (US) 2006-08-23 EP disclosed
WO-2005061477-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH (US) 2005-07-07 WO disclosed
US-20050143422-A1 Biaryl sulfonamides and methods for using same WYETH (US) 2005-06-30 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 (2 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-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same STS, MMP3, AADAC POLB 1554/4885MAOB 421/4885MAOA 460/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC POLB 1554/4885MAOB 421/4885MAOA 460/4885

“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.