SCHEMBL3204572

SCHEMBL3204572

O=[N+]([O-])c1ccc2nc(-c3ccccc3)ncc2c1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.68
ABCG2 Q9UNQ0 6/20 0.55
ALDH1A1 P00352 2/20 0.53
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
NPBWR1 P48145 2/20 0.51
MEN1 O00255 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
OPRK1 P41145 1/20 0.50

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
SCHEMBL28163946 0.88 CYP1A2 (0.68) CYP1A2ABCG2ALDH1A1NPC1RAB9A
SCHEMBL7603316 0.86 CYP1A2 (0.54) CYP1A2ABCG2ALDH1A1NPC1RAB9A
SCHEMBL12549567 0.82 CYP1A2 (0.72) CYP1A2ABCG2ALDH1A1NPC1RAB9A
SCHEMBL8778958 0.82 CYP1A2 (0.51) CYP1A2ABCG2ALDH1A1NPC1RAB9A
SCHEMBL29733670 0.81 NPBWR1 (0.55) CYP1A2ABCG2ALDH1A1SMN1; SMN2MAPT
SCHEMBL14906648 0.81 ALDH1A1 (0.58) CYP1A2ABCG2ALDH1A1NPC1RAB9A
SCHEMBL1748011 0.79 MAOA (0.54) CYP1A2ABCG2ALDH1A1NPC1RAB9A
SCHEMBL16478052 0.79 CYP1A2 (0.51) CYP1A2ALDH1A1NPC1RAB9ASMN1; SMN2
Benzene SCHEMBL27889154 0.79 MAPT (0.49) CYP1A2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1748346 0.77 MAOA (0.54) CYP1A2ABCG2ALDH1A1NPC1RAB9A

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 CYP1A2 72/4885ABCG2 909/4885ALDH1A1 1195/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 CYP1A2 72/4885ABCG2 909/4885ALDH1A1 1195/4885

“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.