SCHEMBL5450085

SCHEMBL5450085

O=C(Nc1cccnc1)c1ccc(I)cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.73
CYP11B1 P15538 5/20 0.72
CYP11B2 P19099 5/20 0.72
LMNA P02545 2/20 0.71
HIF1A Q16665 1/20 0.71
RAB9A P51151 6/20 0.70
NPC1 O15118 5/20 0.70
GAA P10253 1/20 0.70
TRPV1 Q8NER1 2/20 0.67
TP53 P04637 1/20 0.65
RECQL P46063 1/20 0.65
SMN1; SMN2 Q16637 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
SCHEMBL5435462 0.85 NAMPT (0.76) NAMPTCYP11B1CYP11B2LMNAHIF1A
SCHEMBL3642636 0.85 NAMPT (0.81) NAMPTCYP11B1CYP11B2LMNAHIF1A
SCHEMBL167081 0.85 NAMPT (1.00) NAMPTCYP11B1CYP11B2LMNAHIF1A
SCHEMBL28007807 0.85 NAMPT (0.81) NAMPTCYP11B1CYP11B2LMNAHIF1A
SCHEMBL6354168 0.84 CYP11B1 (1.00) NAMPTCYP11B1CYP11B2LMNAHIF1A
SCHEMBL12078341 0.84 NAMPT (0.77) NAMPTCYP11B1CYP11B2LMNAHIF1A
SCHEMBL10978857 0.84 CYP11B1 (1.00) NAMPTCYP11B1CYP11B2LMNAHIF1A
SCHEMBL30582756 0.84 CYP11B1 (1.00) NAMPTCYP11B1CYP11B2LMNAHIF1A
SCHEMBL95793 0.84 NAMPT (0.73) NAMPTCYP11B1CYP11B2LMNAHIF1A
SCHEMBL13947029 0.84 NAMPT (1.00) NAMPTCYP11B1CYP11B2LMNAHIF1A

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
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
EP-1730114-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-12-13 EP disclosed
WO-2005087746-A1 BENZAZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2005-09-22 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-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders CNR2, GRIN2C, GRIN2B NAMPT 4183/4885CYP11B1 510/4885CYP11B2 235/4885

“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.