Sugi Predict

Sugi Predict / Compounds / SCHEMBL900164

SCHEMBL900164

SCHEMBL900164

C[Si](C)(C)CCOCn1c(C=O)nc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 2/20 0.48
▸ NPC1 O15118 7/20 0.42
▸ KDM4E B2RXH2 10/20 0.41
▸ ALDH1A1 P00352 9/20 0.41
▸ RAB9A P51151 6/20 0.41
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ GAA P10253 6/20 0.41
▸ GLA P06280 4/20 0.41
▸ PKM P14618 2/20 0.41
▸ NFKB1 P19838 2/20 0.41
▸ NFKB2 Q00653 2/20 0.41
▸ RELA Q04206 2/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ ATM Q13315 1/20 0.40
▸ HPGD P15428 5/20 0.40
▸ MAPT P10636 3/20 0.40
▸ POLB P06746 4/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TP53 P04637 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39

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
SCHEMBL31174250 1.00 VDR (0.48) VDRNPC1KDM4EALDH1A1RAB9A
SCHEMBL31174248 1.00 VDR (0.48) VDRNPC1KDM4EALDH1A1RAB9A
SCHEMBL3311841 0.84 MAPT (0.41) VDRNPC1MAPT
SCHEMBL19857776 0.84 NPC1 (0.38) VDRNPC1KDM4EALDH1A1RAB9A
SCHEMBL4073539 0.83 VDR (0.45) VDRNPC1KDM4EALDH1A1MAPT
SCHEMBL4071076 0.82 NPC1 (0.39) VDRNPC1ALDH1A1RAB9AMAPT
SCHEMBL6947490 0.81 BRD4 (0.36) NPC1MAPTPOLBTP53TDP1
SCHEMBL4921054 0.80 KDM4E (0.57) VDRNPC1KDM4EALDH1A1RAB9A
SCHEMBL1192213 0.80 LMNA (0.47) NPC1KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL5252051 0.80 NPC1 (0.42) NPC1KDM4EALDH1A1RAB9ASMN1; SMN2

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 98 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220409589-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2022-12-29 — — US disclosed
US-20220409589-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY GENZYME CORP (US) 2022-12-29 — — US disclosed
EP-1613613-B1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2021-06-02 — — EP disclosed
US-10322111-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2019-06-18 — — US disclosed
US-10322111-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2019-06-18 — — US disclosed
US-20190023709-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS CANADA INC (CA) 2019-01-24 — — US disclosed
US-20190023709-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS CANADA INC (CA) 2019-01-24 — — US disclosed
US-10100056-B2 SHIP1 modulators and methods related thereto AQUINOX PHARMACEUTICALS (CANADA) INC. (CA) 2018-10-16 — — US disclosed
US-20170253596-A2 SHIP1 MODULATORS AND METHODS RELATED THERETO TARO PHARMACEUTICALS INC. (CA) 2017-09-07 — — US disclosed
US-20170253596-A2 SHIP1 MODULATORS AND METHODS RELATED THERETO TARO PHARMACEUTICALS INC. (CA) 2017-09-07 — — US disclosed
EP-1242074-A1 5-BENZYL-OCTAHYDROINDOLE AND 6-BENZYL-DECAHYDROQUINOLINE NMDA/NR2B ANTAGONISTS Merck & Co., Inc. (US) 2002-09-25 — — EP disclosed
EP-1235798-A1 1,4 SUBSTITUTED PIPERIDINYL NMDA/NR2B ANTAGONISTS Merck & Co., Inc. (US) 2002-09-04 — — EP disclosed
US-6432976-B1 ANALGESICS; SIDE EFFECT REDUCTION MERCK & CO., INC. 2002-08-13 — — US disclosed
US-6369076-B1 ANALGESICS MERCK & CO. INC. 2002-04-09 — — US disclosed
WO-2002022600-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 — — WO disclosed
WO-2002022599-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 — — WO disclosed
WO-2001032615-A1 1,4 SUBSTITUTED PIPERIDINYL NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2001-05-10 — — WO disclosed
WO-2001032179-A1 8-AZA-BICYCLO[3.2.1]OCTANE NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2001-05-10 — — WO disclosed
WO-2001032177-A1 2-AZA-BICYCLO[2.2.2]OCTANE NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2001-05-10 — — WO disclosed
WO-2001032171-A1 5-BENZYL-OCTAHYDROINDOLE AND 6-BENZYL-DECAHYDROQUINOLINE NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2001-05-10 — — 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 (5 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-20190023709-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO PPM1D, PPP1R1B, PPM1A VDR 3912/4885NPC1 1207/4885KDM4E 2709/4885
US-20170253596-A2 SHIP1 MODULATORS AND METHODS RELATED THERETO PPM1D, PPP1R1B, PPM1A VDR 3912/4885NPC1 1207/4885KDM4E 2709/4885
US-10322111-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CCR5, CXCR4, CXCR3 VDR 220/4885NPC1 872/4885KDM4E 2947/4885
US-20220409589-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY CCR5, CXCR4, CXCR3 VDR 220/4885NPC1 872/4885KDM4E 2947/4885
US-10100056-B2 SHIP1 modulators and methods related thereto PPM1D, PPP1R1B, PPM1A VDR 3912/4885NPC1 1207/4885KDM4E 2709/4885

“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.