SCHEMBL3203103

SCHEMBL3203103

COc1ccc(-c2nc3cc(N)ccc3s2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.74
MAPT P10636 5/20 0.74
NPC1 O15118 4/20 0.74
RAB9A P51151 4/20 0.74
GAA P10253 4/20 0.74
MEN1 O00255 2/20 0.74
ALDH1A1 P00352 2/20 0.74
KMT2A Q03164 2/20 0.74
POLB P06746 1/20 0.74
NFKB1 P19838 1/20 0.74
GFER P55789 1/20 0.74
NFKB2 Q00653 1/20 0.74
RELA Q04206 1/20 0.74
APP P05067 8/20 0.70
SMN1; SMN2 Q16637 4/20 0.64
PKM P14618 1/20 0.64
TP53 P04637 2/20 0.62
HDAC6 Q9UBN7 1/20 0.60
SULT1A1 P50225 1/20 0.58
GLA P06280 3/20 0.56

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
SCHEMBL1986466 0.91 APP (0.79) KDM4EMAPTNPC1RAB9AGAA
SCHEMBL5906664 0.88 APP (0.84) KDM4EMAPTNPC1RAB9AGAA
SCHEMBL2136362 0.88 SMN1; SMN2 (0.71) KDM4EMAPTNPC1RAB9AGAA
SCHEMBL12639217 0.88 SMN1; SMN2 (0.71) KDM4EMAPTNPC1RAB9AGAA
SCHEMBL29918176 0.86 MAPT (1.00) KDM4EMAPTNPC1RAB9AGAA
SCHEMBL6399498 0.86 MAPT (1.00) KDM4EMAPTNPC1RAB9AGAA
SCHEMBL3190375 0.85 MAPT (0.71) KDM4EMAPTNPC1RAB9AGAA
SCHEMBL14230794 0.84 SULT1A1 (0.72) KDM4ENPC1RAB9AGAAMEN1
SCHEMBL12509576 0.84 APP (0.68) KDM4EMAPTNPC1RAB9AGAA
SCHEMBL2242138 0.83 MAPT (0.82) KDM4EMAPTNPC1RAB9AGAA

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 KDM4E 3052/4885MAPT 4542/4885NPC1 4082/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 KDM4E 3052/4885MAPT 4542/4885NPC1 4082/4885

“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.