SCHEMBL3203107

SCHEMBL3203107

O=[N+]([O-])c1ccc2sc(Cc3ccccc3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.51
APP P05067 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
ACP1 P24666 1/20 0.46
AKR1B1 P15121 2/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
EGFR P00533 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL3910308 0.90 AKR1B1 (0.46) RIPK1APPMMP2MMP9MMP8
SCHEMBL8026684 0.84 RIPK1 (0.44) RIPK1APPMMP2MMP9MMP8
SCHEMBL27661443 0.83 APP (0.52) APPMMP2MMP9MMP8MMP13
SCHEMBL9642062 0.80 RIPK1 (0.55) RIPK1APPMMP2MMP9MMP8
SCHEMBL201882 0.80 RIPK1 (0.52) RIPK1APPMMP2MMP9MMP8
SCHEMBL2141665 0.79 APP (0.69) RIPK1APPMMP2MMP9MMP8
SCHEMBL7544776 0.77 MAPT (0.67) APPMMP2MMP9MMP8MMP13
SCHEMBL3190308 0.76 KDM4E (0.51) APPMMP9MMP8AKR1B1ALDH1A1
SCHEMBL5074923 0.76 AKR1B1 (0.46) AKR1B1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL28984552 0.76 HDAC6 (0.55) AKR1B1ALDH1A1MAPTKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1571142-B1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM SPA (IT) 2012-09-12 EP disclosed
US-20100120802-A1 Novel Anti-Inflammatory and Analgesic Heterocyclic Amidines that Inhibit Nitrogen Oxide (NO) Production MAKOVEC FRANCESCO 2010-05-13 US disclosed
US-7674809-B2 Anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM S.P.A. (IT) 2010-03-09 US disclosed
EP-1654251-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-03-11 EP disclosed
CN-100381502-C Solid phase synthesis process of thiazde orange cyanine dye TIANJIN CITY CONSTRUCTION COLL (CN) 2008-04-16 CN disclosed
CN-1847321-A Solid phase synthesis process of thiazde orange cyanine dye TIANJIN CITY CONSTRUCTION COLL (CN) 2006-10-18 CN disclosed
US-20060205740-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2006-09-14 US disclosed
EP-1654251-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP disclosed
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM SPA 2005-09-08 US disclosed
EP-1571142-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production Rottapharm S.p.A. (IT) 2005-09-07 EP disclosed
WO-2005016914-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-24 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 (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-20100120802-A1 Novel Anti-Inflammatory and Analgesic Heterocyclic Amidines that Inhibit Nitrogen Oxide (NO) Production NOS3, NOS1, NOS2 RIPK1 3900/4885APP 2794/4885MMP2 532/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 RIPK1 3900/4885APP 2794/4885MMP2 532/4885
US-20060205740-A1 Chemical compounds ERBB2, ERBB4, ERBB3 RIPK1 833/4885APP 3244/4885MMP2 4858/4885

“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.