Sugi Predict

Sugi Predict / Compounds / SCHEMBL2708342

SCHEMBL2708342

SCHEMBL2708342

Oc1noc2ccc(Br)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.49
▸ ESR1 P03372 7/20 0.42
▸ ESR2 Q92731 7/20 0.42
▸ ALOX15 P16050 2/20 0.40
▸ CASP1 P29466 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ CES2 O00748 1/20 0.39
▸ GALR3 O60755 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HSP90AA1 P07900 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL5512412 0.84 ESR1 (0.42) PIM1ESR1ESR2ALOX15CASP1
SCHEMBL5508112 0.79 ESR1 (0.63) ESR1ESR2ALOX15HSP90AA1ALDH1A1
SCHEMBL5511112 0.76 ESR1 (0.42) ESR1ESR2HSP90AA1SMN1; SMN2CA9
SCHEMBL12879280 0.76 ESR1 (0.42) ESR1ESR2HSP90AA1
SCHEMBL5513632 0.76 FAAH (0.49) ESR1ESR2CASP1HPGDHSP90AA1
SCHEMBL1759343 0.76 MAPT (0.54) ESR1ESR2SMN1; SMN2KDM4ELMNA
SCHEMBL3524236 0.76 BRD4 (0.45) PIM1CASP1CYP1A2ALDH1A1HTT
SCHEMBL1943238 0.76 IDO1 (0.50) PIM1CASP1ALDH1A1HTTSMN1; SMN2
SCHEMBL2710560 0.76 PIM1 (0.41) PIM1ALOX15CASP1HPGDCES2
SCHEMBL5511923 0.76 ESR1 (0.42) ESR1ESR2HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920018-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2018-03-20 — — US disclosed
US-9920018-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2018-03-20 — — US disclosed
EP-3092234-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2018-02-14 — — EP disclosed
EP-3092234-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2018-02-14 — — EP disclosed
US-20170088527-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2017-03-30 — — US disclosed
US-20170088527-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2017-03-30 — — US disclosed
US-20170088527-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2017-03-30 — — US disclosed
EP-3092234-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS Gilead Sciences, Inc. (US) 2016-11-16 — — EP disclosed
US-20160317504-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-11-03 — — US disclosed
US-20160317504-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-11-03 — — US disclosed
WO-2005066143-A2 BENZO[D]ISOXAZOL-3-OL DAAO INHIBITORS SEPRACOR INC. (US) 2005-07-21 — — WO disclosed
WO-2005066143-A2 BENZO[D]ISOXAZOL-3-OL DAAO INHIBITORS SEPRACOR INC. (US) 2005-07-21 — — WO disclosed
US-20050143434-A1 Benzo[d]isoxazol-3-ol DAAO inhibitors SEPRACOR INC. (US) 2005-06-30 — — US disclosed
US-20040106655-A1 Proline derivatives and the use thereof as drugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-06-03 — — US disclosed
EP-0779281-B1 ISOXAZOLES SANKYO CO (JP) 2003-10-29 — — EP disclosed
EP-1308439-A1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS WELFIDE CORPORATION (JP) 2003-05-07 — — EP disclosed
US-6096771-A ISOXAZOLE DERIVATIVES EXHIBITING EXCELLENT TYPE B AND TYPE A MONOAMINE OXIDASE INHIBITORY ACTIVITIES, THEREFORE USEFUL FOR PREVENTING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 2000-08-01 — — US disclosed
US-5965591-A MONOAMINE OXIDASE INHIBITOR; FOR PROPHYLAXIS AND TREATING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 1999-10-12 — — US disclosed
CN-1162957-A Isoxazole derivatives SANKYO CO (JP) 1997-10-22 — — CN disclosed
EP-0779281-A1 ISOXAZOLES SANKYO COMPANY LIMITED (JP) 1997-06-18 — — 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 (4 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-20170088527-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS CACNA1A, KCNJ2, KCNH2 PIM1 3810/4885ESR1 1954/4885ESR2 1704/4885
US-20050143434-A1 Benzo[d]isoxazol-3-ol DAAO inhibitors DDO, DAO, CACNA1S PIM1 1995/4885ESR1 2250/4885ESR2 3052/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 PIM1 721/4885ESR1 3493/4885ESR2 3363/4885
US-20160317504-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS CACNA1A, KCNJ2, KCNH2 PIM1 3810/4885ESR1 1954/4885ESR2 1704/4885

“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.