SCHEMBL3202749

SCHEMBL3202749

Cc1ccccc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 12/20 1.00
RAB9A P51151 6/20 0.67
MAPT P10636 5/20 0.67
NPC1 O15118 5/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
HTT P42858 3/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
ALDH1A1 P00352 1/20 0.64
NFKB1 P19838 1/20 0.64
MAPK1 P28482 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 0.64
MMP2 P08253 1/20 0.63
MMP9 P14780 1/20 0.63
MMP8 P22894 1/20 0.63
CASP3 P42574 1/20 0.63
MMP13 P45452 1/20 0.63
SENP8 Q96LD8 1/20 0.63
SENP7 Q9BQF6 1/20 0.63

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
SCHEMBL3202735 0.90 NPBWR1 (0.81) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL4487886 0.86 NPBWR1 (0.76) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL13221292 0.86 NPBWR1 (0.76) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL4497816 0.85 NPBWR1 (0.74) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL22091247 0.85 NPBWR1 (0.74) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL28607204 0.85 NPBWR1 (0.74) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL3836178 0.84 NPBWR1 (0.73) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL3190714 0.84 AMY1A (0.73) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL30397301 0.84 NPBWR1 (0.73) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL29886712 0.84 NPBWR1 (0.73) NPBWR1RAB9AMAPTNPC1SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331705-A1 Fused Imidazole Derivatives as AHR Antagonists SENDA BIOSCIENCES, INC. 2023-10-19 US disclosed
US-20230331705-A1 Fused Imidazole Derivatives as AHR Antagonists SENDA BIOSCIENCES, INC. 2023-10-19 US disclosed
WO-2021236717-A1 FUSED IMIDAZOLE DERIVATIVES AS AHR ANTAGONISTS SENDA BIOSCIENCES, INC. (US) 2021-11-25 WO 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 (3 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 323/4885RAB9A 2198/4885MAPT 4542/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 NPBWR1 323/4885RAB9A 2198/4885MAPT 4542/4885
US-20230331705-A1 Fused Imidazole Derivatives as AHR Antagonists AHR, ARNT, AIPL1 NPBWR1 1711/4885RAB9A 2453/4885MAPT 4023/4885

“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.