SCHEMBL3201868

SCHEMBL3201868

O=[N+]([O-])c1ccc2sc(/C=C/c3ccccc3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
CLK1 P49759 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
SNCA P37840 1/20 0.54
NFE2L2 Q16236 1/20 0.52
CYP19A1 P11511 1/20 0.48
POLB P06746 2/20 0.48
KAT8 Q9H7Z6 4/20 0.46
RIPK1 Q13546 1/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
HTT P42858 2/20 0.44
APP P05067 2/20 0.44
INSR P06213 1/20 0.44
NCOA1 Q15788 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL3201875 1.00 MAPT (0.55) MAPTMEN1KMT2ACLK1NPSR1
SCHEMBL1228438 0.84 KAT8 (0.59) MAPTMEN1KMT2ACLK1NPSR1
SCHEMBL2118962 0.84 KAT8 (0.59) MAPTMEN1KMT2ACLK1NPSR1
SCHEMBL9337167 0.82 KAT8 (0.53) MAPTMEN1KMT2ACLK1NPSR1
SCHEMBL9337145 0.82 KAT8 (0.53) MAPTMEN1KMT2ACLK1NPSR1
SCHEMBL23111662 0.81 SNCA (0.56) MAPTMEN1KMT2ACLK1NPSR1
SCHEMBL23111660 0.81 SNCA (0.56) MAPTMEN1KMT2ACLK1NPSR1
SCHEMBL23112880 0.78 MAPT (0.62) MAPTMEN1KMT2ACLK1NPSR1
SCHEMBL23112879 0.78 MAPT (0.62) MAPTMEN1KMT2ACLK1NPSR1
SCHEMBL30468616 0.78 MAPT (0.62) MAPTMEN1KMT2ACLK1NPSR1

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 5 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
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

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-20100120802-A1 Novel Anti-Inflammatory and Analgesic Heterocyclic Amidines that Inhibit Nitrogen Oxide (NO) Production NOS3, NOS1, NOS2 MAPT 4542/4885MEN1 3366/4885KMT2A 3630/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 MAPT 4542/4885MEN1 3366/4885KMT2A 3630/4885

“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.