Sugi Predict

Sugi Predict / Compounds / SCHEMBL2158317

SCHEMBL2158317

SCHEMBL2158317

Oc1ccc(-c2nc3ccc(O)cc3o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 14/20 1.00
▸ ESR2 Q92731 14/20 1.00
▸ NPC1 O15118 2/20 0.76
▸ RAB9A P51151 2/20 0.76
▸ KDM4E B2RXH2 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ GLA P06280 1/20 0.59
▸ GAA P10253 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ PIK3CA P42336 1/20 0.58
▸ PIK3CB P42338 1/20 0.58
▸ APP P05067 3/20 0.58

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
SCHEMBL27090228 0.98 ESR1 (0.96) ESR1ESR2NPC1RAB9AKDM4E
SCHEMBL13254480 0.93 ESR1 (0.86) ESR1ESR2NPC1RAB9AKDM4E
SCHEMBL9114641 0.90 ESR1 (0.81) ESR1ESR2NPC1RAB9AKDM4E
SCHEMBL16894055 0.90 ESR1 (0.81) ESR1ESR2NPC1RAB9AKDM4E
SCHEMBL17561646 0.90 ESR1 (0.81) ESR1ESR2NPC1RAB9AKDM4E
SCHEMBL2248809 0.90 ESR1 (0.81) ESR1ESR2NPC1RAB9AKDM4E
SCHEMBL8034090 0.89 ESR1 (0.81) ESR1ESR2NPC1RAB9AMEN1
SCHEMBL16894044 0.89 ESR1 (0.79) ESR1ESR2NPC1RAB9AKDM4E
SCHEMBL3938979 0.88 ESR1 (1.00) ESR1ESR2NPC1RAB9AMAPT
SCHEMBL8050971 0.88 ESR1 (0.78) ESR1ESR2NPC1RAB9APIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240052103-A1 POLYMER AND TRIAZINE COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2024-02-15 — — US disclosed
US-20220395500-A1 SMALL MOLECULE ACTIVATORS OF INTERFERON REGULATORY FACTOR 3 AND METHODS OF USE THEREOF NEURALEXO, INC. 2022-12-15 — — US disclosed
EP-2350032-B1 BENZOXAZOLE COMPOUNDS AND METHODS OF USE EISAI R&D MAN CO LTD (JP) 2016-05-25 — — EP disclosed
EP-2350032-B1 BENZOXAZOLE COMPOUNDS AND METHODS OF USE EISAI R&D MAN CO LTD (JP) 2016-05-25 — — EP disclosed
US-8354400-B2 Benzoxazole compounds and methods of use EISAI R&D CO., LTD. (JP) 2013-01-15 — — US disclosed
US-8354400-B2 Benzoxazole compounds and methods of use EISAI R&D CO., LTD. (JP) 2013-01-15 — — US disclosed
US-8354400-B2 Benzoxazole compounds and methods of use EISAI R&D CO., LTD. (JP) 2013-01-15 — — US disclosed
EP-2350032-A1 BENZOXAZOLE COMPOUNDS AND METHODS OF USE Eisai R&D Management Co., Ltd. (JP) 2011-08-03 — — EP disclosed
US-20110183967-A1 BENZOXAZOLE COMPOUNDS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-28 — — US disclosed
US-20110183967-A1 BENZOXAZOLE COMPOUNDS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-28 — — US disclosed
US-20050239851-A1 Substituted benzoxazoles as estrogenic agents WYETH (US) 2005-10-27 — — US disclosed
CN-1646504-A Substituted benzoxazoles and analogs as estrogenic agents WYETH CORP (US) 2005-07-27 — — CN disclosed
US-20050080117-A1 Substituted benzoxazoles as estrogenic agents WYETH (US) 2005-04-14 — — US disclosed
US-6794403-B2 FOR TREATING OR INHIBITING INFLAMMATORY BOWEL DISEASE, CROHN'S DISEASE, ULCERATIVE PROCTITIS OR COLITIS PROSTATIC HYPERTROPHY, UTERINE LEIOMYOMAS, BREAST CANCER, ENDOMETRIAL CANCER, CARDIOVASCULAR DISEASE, ALZHEIMER'S DISEASE WYETH 2004-09-21 — — US disclosed
EP-1451165-A1 SUBSTITUTED BENZOXAZOLES AND ANALOGUES AS ESTROGENIC AGENTS Wyeth (US) 2004-09-01 — — EP disclosed
US-20040102435-A1 Therapeutic compounds ASTRAZENECA AB (SE) 2004-05-27 — — US disclosed
US-20030199562-A1 Substituted benzoxazoles as estrogenic agents WYETH 2003-10-23 — — US disclosed
EP-1345914-A1 THERAPEUTIC COMPOUNDS AstraZeneca AB (SE) 2003-09-24 — — EP disclosed
WO-2003050095-A1 SUBSTITUTED BENZOXAZOLES AND ANALOGUES AS ESTROGENIC AGENTS WYETH (US) 2003-06-19 — — WO disclosed
WO-2002051821-A1 THERAPEUTIC COMPOUNDS ASTRAZENECA AB (SE) 2002-07-04 — — 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 (7 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-20050239851-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA ESR1 1/4885ESR2 2/4885NPC1 3535/4885
US-20110183967-A1 BENZOXAZOLE COMPOUNDS AND METHODS OF USE CYP4X1, CYP3A5, CYP3A7 ESR1 2407/4885ESR2 2935/4885NPC1 1519/4885
US-20050080117-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA ESR1 1/4885ESR2 2/4885NPC1 3535/4885
US-20040102435-A1 Therapeutic compounds ESRRA, ESRRG, ESR2 ESR1 6/4885ESR2 3/4885NPC1 2588/4885
US-20220395500-A1 SMALL MOLECULE ACTIVATORS OF INTERFERON REGULATORY FACTOR 3 AND METHODS OF USE THEREOF IRF3, IRF2BP2, STAT1 ESR1 4656/4885ESR2 4013/4885NPC1 3114/4885
US-20030199562-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA ESR1 1/4885ESR2 2/4885NPC1 3408/4885
US-20240052103-A1 POLYMER AND TRIAZINE COMPOUND TERT, TERB1, MCM5 ESR1 3620/4885ESR2 2848/4885NPC1 3347/4885

“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.