Sugi Predict

Sugi Predict / Compounds / SCHEMBL4950595

SCHEMBL4950595

SCHEMBL4950595

[c]1ccc(N2CCCCC2)o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 7/20 0.33
▸ MEN1 O00255 4/20 0.33
▸ MAPT P10636 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ THRB P10828 3/20 0.33
▸ GAA P10253 3/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ RECQL P46063 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL27965106 0.98 POLB (0.38) POLBSMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL8213919 0.79 ADRB1 (0.41) ALDH1A1THRBKDM4ETP53HTT
SCHEMBL3586642 0.65 HRH3 (0.47) POLBSMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL953626 0.63 HRH3 (0.43) POLBSMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL28325620 0.62 CSF1R (0.42) POLBSMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL4607483 0.62 ALDH1A1 (0.44) POLBSMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL14220735 0.61 POLB (0.50) POLBSMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL1900341 0.61 ALDH1A1 (0.52) POLBSMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL146936 0.61 ALDH1A1 (0.52) POLBSMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL693166 0.61 ALDH1A1 (0.52) POLBSMN1; SMN2ALDH1A1MEN1MAPT

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
US-7365085-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-04-29 — — US claimed
EP-1575495-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2005-09-21 — — EP claimed
US-20050113580-A1 Amide compounds and methods of using the same SMITHKLINE BEECHAM CORP 2005-05-26 — — US claimed
WO-2003082205-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 — — WO claimed
US-7365085-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-04-29 — — US disclosed
EP-1575495-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2005-09-21 — — EP disclosed
US-20050113580-A1 Amide compounds and methods of using the same SMITHKLINE BEECHAM CORP 2005-05-26 — — US disclosed
WO-2003082205-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 — — 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-20050113580-A1 Amide compounds and methods of using the same NR1H2, NR1H3, PPARA POLB 3890/4885SMN1; SMN2 4692/4885ALDH1A1 1460/4885

“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.