SCHEMBL848173

SCHEMBL848173

O=[N+]([O-])c1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
LMNA P02545 3/20 0.62
KDM4E B2RXH2 2/20 0.62
CYP2C9 P11712 1/20 0.62
EDNRA P25101 1/20 0.62
SLC6A4 P31645 1/20 0.62
ADRA1A P35348 1/20 0.62
PRMT6 Q96LA8 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
CYP1A2 P05177 1/20 0.56
PKM P14618 3/20 0.55
KDM1A O60341 1/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
POLB P06746 1/20 0.54
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53
ATM Q13315 1/20 0.53
DNMT1 P26358 1/20 0.53

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
Para-Nitrosulfathiazole SCHEMBL338503 0.96 ALDH1A1 (0.67) ALDH1A1LMNAKDM4ECYP2C9EDNRA
SCHEMBL8356849 0.88 KMO (0.56) ALDH1A1LMNAKDM4ECYP2C9EDNRA
SCHEMBL848949 0.82 ALDH1A1 (0.91) ALDH1A1LMNAKDM4ECYP2C9EDNRA
SCHEMBL9301664 0.82 ALDH1A1 (0.61) ALDH1A1LMNAKDM4ECYP2C9EDNRA
SCHEMBL8119097 0.80 ALDH1A1 (0.68) ALDH1A1LMNAKDM4ECYP2C9EDNRA
SCHEMBL15124759 0.80 LMNA (0.63) ALDH1A1LMNAKDM4ECYP2C9EDNRA
SCHEMBL13212241 0.78 POLB (0.64) ALDH1A1LMNAKDM4ETDP1SMN1; SMN2
SCHEMBL3066836 0.78 LMNA (0.79) ALDH1A1LMNAKDM4ECYP2C9EDNRA
SCHEMBL183995 0.77 ALDH1A1 (0.72) ALDH1A1LMNAKDM4ECYP2C9EDNRA
SCHEMBL13180843 0.77 ALDH1A1 (0.72) ALDH1A1LMNAKDM4ECYP2C9EDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236833-B2 Biphenyl derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-07 US disclosed
US-8236833-B2 Biphenyl derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-07 US disclosed
US-8236833-B2 Biphenyl derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-07 US disclosed
EP-1934191-B1 BIPHENYL DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMA (US) 2012-03-28 EP disclosed
EP-1934191-B1 BIPHENYL DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMA (US) 2012-03-28 EP disclosed
US-20100130548-A1 BIPHENYL DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-27 US disclosed
US-20100130548-A1 BIPHENYL DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-27 US disclosed
US-20100130548-A1 BIPHENYL DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-27 US disclosed
US-7683083-B2 Biphenyl derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-23 US disclosed
US-7683083-B2 Biphenyl derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-23 US disclosed
US-7683083-B2 Biphenyl derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-23 US disclosed
EP-1934191-A2 BIPHENYL DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS Vertex Pharmaceuticals, Inc. (US) 2008-06-25 EP disclosed
US-20080113990-A1 Biphenyl derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 US disclosed
US-20080113990-A1 Biphenyl derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 US disclosed
US-20080113990-A1 Biphenyl derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 US disclosed
WO-2007047474-A2 BIPHENYL DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-26 WO disclosed
WO-2007047474-A2 BIPHENYL DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-26 WO 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-20100130548-A1 BIPHENYL DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS TRPV1, TRPA1, TRPV2 ALDH1A1 1636/4885LMNA 3741/4885KDM4E 2475/4885
US-20080113990-A1 Biphenyl derivatives as modulators of voltage gated ion channels TRPV1, TRPA1, TRPV2 ALDH1A1 1636/4885LMNA 3741/4885KDM4E 2475/4885

“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.