SCHEMBL5477474

SCHEMBL5477474

COCCc1cccc(CON)n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.39
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
IDO1 P14902 9/20 0.36
AGXT P21549 3/20 0.36
NPSR1 Q6W5P4 1/20 0.33
BACE1 P56817 1/20 0.33
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL5473625 0.80 NPSR1 (0.40) KCNH2NOS1NOS2NPSR1
SCHEMBL27800462 0.78 KCNH2 (0.41) KCNH2NOS1NOS2NPSR1BACE1
SCHEMBL4049049 0.78 KCNH2 (0.41) KCNH2NOS1NOS2NPSR1PGK1
SCHEMBL4047122 0.78 KCNH2 (0.46) KCNH2NOS1NOS2NPSR1BACE1
SCHEMBL9977688 0.76 SMN1; SMN2 (0.42) KCNH2NOS1NOS2ADORA2A
SCHEMBL4047727 0.74 KCNH2 (0.40) KCNH2
SCHEMBL24618108 0.74 HRH1 (0.42) KCNH2NOS1NOS2NPSR1BACE1
SCHEMBL3511340 0.74 HTR7 (0.41) KCNH2NOS1NOS2NPSR1BACE1
SCHEMBL12710391 0.74 KCNH2 (0.37) KCNH2NOS1NOS2NPSR1BACE1
SCHEMBL29792017 0.74 HRH1 (0.42) KCNH2NOS1NOS2NPSR1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070042975-A1 Novel indolopyrrolocarbazole derivative with antitumor activity BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1666485-A1 NOVEL INDOLOPYRROLOCARBAZOLE DERIVATIVE WITH ANTITUMOR ACTIVITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-06-07 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 (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-20070042975-A1 Novel indolopyrrolocarbazole derivative with antitumor activity HK1, G6PD, HK2 KCNH2 325/4885NOS1 2077/4885NOS2 2262/4885

“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.