Sugi Predict

Sugi Predict / Compounds / SCHEMBL1830611

SCHEMBL1830611

SCHEMBL1830611

O=C1[N]CCCC1Oc1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.36
▸ NISCH Q9Y2I1 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HRH3 Q9Y5N1 4/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ HTR7 P34969 2/20 0.35
▸ HTR6 P50406 2/20 0.35
▸ DDB1 Q16531 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ METAP2 P50579 1/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ SLC6A3 Q01959 2/20 0.34
▸ PGR P06401 1/20 0.34

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
SCHEMBL1827264 0.70 MEN1 (0.46) MEN1RAB9AKMT2AL3MBTL1TDP1
SCHEMBL3120094 0.69 MEN1 (0.45) MEN1RAB9AKMT2AL3MBTL1TDP1
SCHEMBL16902862 0.69 MEN1 (0.51) MEN1RAB9AKMT2AL3MBTL1TDP1
SCHEMBL11539838 0.69 MEN1 (0.42) MEN1RAB9AKMT2AL3MBTL1TDP1
SCHEMBL11231704 0.69 SLC6A2 (0.45) MEN1RAB9AKMT2AL3MBTL1TDP1
SCHEMBL16789532 0.68 MCHR1 (0.54) MEN1RAB9AKMT2AL3MBTL1HRH3
SCHEMBL7059946 0.68 MCHR1 (0.54) MEN1RAB9AKMT2AL3MBTL1HRH3
SCHEMBL21047681 0.68 MEN1 (0.47) MEN1RAB9AKMT2AL3MBTL1TDP1
SCHEMBL20014006 0.64 KMT2A (0.46) MEN1RAB9AKMT2AL3MBTL1TDP1
SCHEMBL8547437 0.63 KMT2A (0.45) MEN1RAB9AKMT2AL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318363-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS Nuevolution A/S (DK) 2011-05-11 — — EP claimed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 — — WO claimed
US-20180340174-A1 METHOD FOR IDENTIFICATION OF MOLECULES WITH DESIRED CHARACTERISTICS NANOCORE APS (DK) 2018-11-29 — — US disclosed
EP-3218479-A1 METHOD FOR IDENTIFICATION OF MOLECULES WITH DESIRED CHARACTERISTICS Nanocore ApS (DK) 2017-09-20 — — EP disclosed
WO-2016074683-A1 METHOD FOR IDENTIFICATION OF MOLECULES WITH DESIRED CHARACTERISTICS LUNDORF PEDERSEN MATERIALS APS (DK) 2016-05-19 — — WO disclosed
US-20110230419-A1 IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2011-09-22 — — US disclosed
EP-2318363-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS Nuevolution A/S (DK) 2011-05-11 — — EP disclosed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 — — 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-20110230419-A1 IAP BINDING COMPOUNDS BIRC5, BIRC7, BIRC3 MEN1 1463/4885RAB9A 3513/4885KMT2A 4788/4885

“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.