SCHEMBL3201047

SCHEMBL3201047

Cc1ccccc1-c1nc2cc([N+](=O)[O-])ccc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52
NPBWR1 P48145 1/20 0.52
CYP19A1 P11511 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 1/20 0.48
RIPK1 Q13546 1/20 0.47
ALDH1A1 P00352 3/20 0.46
ILK Q13418 1/20 0.46
MAPT P10636 4/20 0.43
MAPK1 P28482 1/20 0.43
EGFR P00533 1/20 0.43
INSR P06213 1/20 0.43
IGF1R P08069 1/20 0.43
PDGFRB P09619 1/20 0.43
SRC P12931 1/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL19149759 0.85 APP (0.53) APPMMP2MMP9MMP8MMP13
SCHEMBL12422162 0.84 MMP13 (0.63) APPMMP2MMP9MMP8MMP13
SCHEMBL2248504 0.84 APP (0.52) APPMMP2MMP9MMP8MMP13
SCHEMBL27507811 0.84 APP (0.52) APPMMP2MMP9MMP8MMP13
SCHEMBL3201601 0.84 MEN1 (0.52) APPMMP2MMP9MMP8MMP13
SCHEMBL2141665 0.81 APP (0.69) APPMMP2MMP9MMP8MMP13
SCHEMBL19149786 0.80 APP (0.47) APPMMP2MMP9MMP8MMP13
SCHEMBL23176467 0.79 MAPT (0.55) APPSMN1; SMN2ALDH1A1ILKMAPT
SCHEMBL2245605 0.78 APP (0.62) APPMMP2MMP9MMP8MMP13
SCHEMBL3202055 0.77 NPC1 (0.57) APPMMP2MMP9MMP8MMP13

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 APP 2794/4885MMP2 532/4885MMP9 879/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 APP 2794/4885MMP2 532/4885MMP9 879/4885

“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.