SCHEMBL4417436

SCHEMBL4417436

O=[N+]([O-])c1ccc(-c2noc(C3CCNCC3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.58
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
MAPT P10636 2/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
SIRT2 Q8IXJ6 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CASP3 P42574 1/20 0.45

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
SCHEMBL25339052 0.91 CA12 (0.62) NR1H4CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL193282 0.84 NPC1 (0.46) NR1H4CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL193283 0.84 NPC1 (0.46) NR1H4CA12CA1CA2CA9
SCHEMBL174481 0.81 CA12 (0.52) CA12CA1CA2CA9NPC1
SCHEMBL4419275 0.80 NPC1 (0.74) NR1H4CA12CA1CA2CA9
SCHEMBL4419637 0.80 NR1H4 (0.65) NR1H4CA12CA1CA2CA9
SCHEMBL13135844 0.80 NR1H4 (0.73) NR1H4CA12CA1CA2CA9
SCHEMBL4416033 0.80 NPC1 (0.74) NR1H4CA12CA1CA2CA9
SCHEMBL4414482 0.80 NR1H4 (0.65) NR1H4CA12CA1CA2CA9
SCHEMBL4422352 0.80 NR1H4 (0.65) NR1H4CA12CA1CA2CA9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325924-A1 GPCR Agonists PROSIDION LIMITED (GB) 2009-12-31 US claimed

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-20090325924-A1 GPCR Agonists GPR119, GCGR, GPR27 NR1H4 90/4885CA12 4792/4885CA1 4864/4885

“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.