SCHEMBL3190872

SCHEMBL3190872

O=[N+]([O-])c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)nc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 13/20 0.65
▸ MAPT P10636 6/20 0.61
▸ RAB9A P51151 6/20 0.61
▸ NPC1 O15118 6/20 0.61
▸ SMN1; SMN2 Q16637 5/20 0.61
▸ HTT P42858 4/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ LMNA P02545 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ MMP2 P08253 4/20 0.59
▸ MMP9 P14780 4/20 0.59
▸ MMP8 P22894 4/20 0.59
▸ MMP13 P45452 3/20 0.59
▸ CASP3 P42574 2/20 0.59
▸ SENP8 Q96LD8 2/20 0.59
▸ SENP7 Q9BQF6 2/20 0.59
▸ SENP6 Q9GZR1 2/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL3190883 0.90 NPBWR1 (0.80) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL3193088 0.86 NPBWR1 (0.80) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL5566197 0.86 NPC1 (0.78) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL29848847 0.86 NPBWR1 (0.57) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL17255170 0.85 NPC1 (0.50) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL3335995 0.83 NPBWR1 (0.81) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL6327841 0.82 NPC1 (0.72) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL28761269 0.82 RAB9A (0.80) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12470997 0.82 NPBWR1 (0.82) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL31474746 0.82 NPC1 (0.72) NPBWR1MAPTRAB9ANPC1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NPBWR1 323/4885MAPT 4542/4885RAB9A 2198/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 NPBWR1 323/4885MAPT 4542/4885RAB9A 2198/4885

“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.

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