SCHEMBL7672534

SCHEMBL7672534

CC(C)(Cc1cnc2ccccc2c1)[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
ATG4B Q9Y4P1 1/20 0.43
CYP1A2 P05177 2/20 0.42
ALPL P05186 1/20 0.41
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
MGAM O43451 1/20 0.39
PDE10A Q9Y233 3/20 0.38
MMP1 P03956 1/20 0.38
FCER2 P06734 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MAOB P27338 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL11923151 0.80 CYP1A2 (0.52) ALDH1A1CYP1A2PDGFRBPDGFRAMGAM
SCHEMBL7670566 0.77 CYP1A2 (0.49) ALDH1A1CYP1A2PDGFRBPDGFRAMGAM
SCHEMBL4610282 0.77 CYP1A2 (0.47) CYP1A2MMP1MMP9MAPT
Hydrochloric Acid SCHEMBL7749595 0.76 CYP1A2 (0.47) ALDH1A1CYP1A2PDGFRBPDGFRAMGAM
SCHEMBL13548291 0.76 CYP1A2 (0.47) ALDH1A1CYP1A2PDGFRBPDGFRAMGAM
SCHEMBL5720341 0.75 CYP1A2 (0.48) ALDH1A1CYP1A2PDGFRBPDGFRAMGAM
SCHEMBL27397452 0.74 MGAM (0.51) CYP1A2PDGFRBPDGFRAMGAMMAOB
SCHEMBL28287842 0.73 CYP1A2 (0.47) ALDH1A1CYP1A2PDGFRBPDGFRAMGAM
SCHEMBL4371898 0.72 SLC6A2 (0.48) ALDH1A1CYP1A2HIF1ASMN1; SMN2
SCHEMBL151560 0.71 CYP1A2 (0.57) ALDH1A1CYP1A2PDGFRBPDGFRAMGAM

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-20020052509-A1 Calcilytic compounds and method of use SMITHKLINE BEECHAM CORPORATION 2002-05-02 US disclosed
EP-1069901-A4 CALCILYTIC COMPOUNDS AND METHOD OF USE SMITHKLINE BEECHAM CORP (US) 2001-06-13 EP disclosed
EP-1069901-A1 CALCILYTIC COMPOUNDS AND METHOD OF USE SMITHKLINE BEECHAM CORPORATION (US) 2001-01-24 EP disclosed
WO-1999051241-A1 CALCILYTIC COMPOUNDS AND METHOD OF USE SMITHKLINE BEECHAM CORPORATION (US) 1999-10-14 WO 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 (1 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-20020052509-A1 Calcilytic compounds and method of use SOST, CALCR, PTH1R ALDH1A1 3299/4885ATG4B 2101/4885CYP1A2 2313/4885

“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.