SCHEMBL3202735

SCHEMBL3202735

Cc1ccccc1-c1nc2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 11/20 0.81
CYP19A1 P11511 1/20 0.61
RAB9A P51151 5/20 0.58
NPC1 O15118 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
ALDH1A1 P00352 3/20 0.58
HTT P42858 3/20 0.58
NPSR1 Q6W5P4 2/20 0.58
HPGD P15428 1/20 0.58
MAPT P10636 4/20 0.53
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NFKB1 P19838 1/20 0.51
MAPK1 P28482 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
AMY1A P0DUB6 1/20 0.51

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
SCHEMBL4497810 0.90 NPBWR1 (0.65) NPBWR1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3202749 0.90 NPBWR1 (1.00) NPBWR1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL4487881 0.86 MMP2 (0.66) NPBWR1RAB9ANPC1SMN1; SMN2HTT
SCHEMBL2250346 0.85 NPBWR1 (0.60) NPBWR1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL4497816 0.85 NPBWR1 (0.74) NPBWR1RAB9ANPC1SMN1; SMN2HTT
SCHEMBL3190704 0.84 AMY1A (0.59) NPBWR1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3836178 0.84 NPBWR1 (0.73) NPBWR1CYP19A1RAB9ANPC1SMN1; SMN2
SCHEMBL3337243 0.84 NPBWR1 (0.81) NPBWR1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL29886712 0.84 NPBWR1 (0.73) NPBWR1CYP19A1RAB9ANPC1SMN1; SMN2
SCHEMBL3194973 0.84 AMY1A (0.65) NPBWR1RAB9ANPC1SMN1; SMN2HTT

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 323/4885CYP19A1 273/4885RAB9A 2198/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 NPBWR1 323/4885CYP19A1 273/4885RAB9A 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.