Sugi Predict

Sugi Predict / Compounds / SCHEMBL1828221

SCHEMBL1828221

SCHEMBL1828221

[c]1nocc1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALM1 P0DP23 1/20 0.42
▸ SORT1 Q99523 1/20 0.37
▸ RAB9A P51151 4/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ GPR55 Q9Y2T6 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ AR P10275 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TAAR1 Q96RJ0 2/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ BCL2 P10415 1/20 0.32
▸ BCL2L1 Q07817 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ELANE P08246 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
SCHEMBL8901925 0.76 CHRM2 (0.45) GPR55TAAR1HRH3
SCHEMBL333323 0.68 CALM1 (0.42) CALM1SORT1RAB9ASMN1; SMN2NPC1
SCHEMBL5203889 0.67 — —
SCHEMBL818602 0.65 CALM1 (0.44) CALM1SORT1TSHRALDH1A1LMNA
SCHEMBL207607 0.64 CALM1 (0.55) CALM1HPGDTSHRALDH1A1BCL2
SCHEMBL407580 0.64 CALM1 (0.42) CALM1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL69346 0.64 ALDH1A1 (0.35) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
Diphenylmethane SCHEMBL1303 0.64 CALM1 (1.00) CALM1HPGDTSHRALDH1A1LMNA
Diphenylmethane SCHEMBL3792579 0.64 CALM1 (1.00) CALM1HPGDTSHRALDH1A1LMNA
Diphenylmethane SCHEMBL14763944 0.64 CALM1 (1.00) CALM1HPGDTSHRALDH1A1LMNA

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 10 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
CN-108884078-A Glycosidase inhibitor 阿森纽荣股份公司 2018-11-23 — — CN disclosed
CN-108884077-A Glycosidase inhibitors 阿森纽荣股份公司 2018-11-23 — — CN 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 CALM1 1628/4885SORT1 2474/4885RAB9A 3513/4885

“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.