Sugi Predict

Sugi Predict / Compounds / SCHEMBL423788

SCHEMBL423788

SCHEMBL423788

O=C(O)c1c(Br)ccc2c1OCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SRD5A2 P31213 1/20 0.44
▸ TXNRD1 Q16881 1/20 0.37
▸ TXNRD3 Q86VQ6 1/20 0.37
▸ TXNRD2 Q9NNW7 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 4/20 0.35
▸ ATM Q13315 1/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35

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
SCHEMBL27967472 0.87 AOC3 (0.50) AOC3ALDH1A1MAPK1SRD5A2TXNRD1
SCHEMBL422232 0.84 AOC3 (0.47) AOC3ALDH1A1MAPK1SRD5A2TXNRD1
SCHEMBL12071539 0.84 AOC3 (0.47) AOC3ALDH1A1MAPK1SRD5A2TXNRD1
SCHEMBL13485804 0.83 AOC3 (0.46) AOC3ALDH1A1MAPK1HDAC1HDAC8
SCHEMBL8470586 0.80 AOC3 (0.44) AOC3ALDH1A1MAPK1HTTKMT2A
SCHEMBL26054366 0.80 AOC3 (0.44) AOC3ALDH1A1MAPK1SRD5A2TXNRD1
SCHEMBL9489186 0.80 ALDH1A1 (0.46) AOC3ALDH1A1MAPK1SRD5A2TXNRD1
SCHEMBL6996541 0.79 ALDH1A1 (0.44) AOC3ALDH1A1MAPK1SRD5A2TXNRD1
SCHEMBL4493633 0.79 ALDH1A1 (0.44) AOC3ALDH1A1MAPK1SRD5A2TXNRD1
SCHEMBL423210 0.79 ALDH1A1 (0.44) AOC3ALDH1A1MAPK1SRD5A2TXNRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12378254-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2025-08-05 — — US disclosed
CN-116120273-B Method for preparing 5-bromobenzo [ D ] [1,3] dioxy-4-amine 爱斯特（成都）生物制药股份有限公司 2025-05-13 — — CN disclosed
US-20240400561-A1 NOVEL SUBSTITUTED SULFONYLUREA COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY VIVA STAR BIOSCIENCES (SUZHOU) CO., LTD. (CN) 2024-12-05 — — US disclosed
CN-118251393-A Novel substituted sulfonylurea compounds as inhibitors of interleukin-1 activity 唯久生物技术(苏州)有限公司 2024-06-25 — — CN disclosed
US-20240109901-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-04-04 — — US disclosed
CN-116670127-A EGFR inhibitors and compositions and uses thereof 贝达药业股份有限公司 2023-08-29 — — CN disclosed
US-11667644-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2023-06-06 — — US disclosed
CN-116120273-A Method for preparing 5-bromobenzo [ D ] [1,3] dioxy-4-amine 爱斯特（成都）生物制药股份有限公司 2023-05-16 — — CN disclosed
US-20230138851-A1 NOVEL ALKYNE DERIVATIVES CARNA BIOSCIENCES, INC. (JP) 2023-05-04 — — US disclosed
WO-2022206797-A1 EGFR INHIBITOR, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2022-10-06 — — WO disclosed
EP-1453492-A2 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES Astrazeneca AB (SE) 2004-09-08 — — EP disclosed
EP-1409481-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS Astrazeneca AB (SE) 2004-04-21 — — EP disclosed
CN-1471527-A Quinazoline derivatives — 2004-01-28 — — CN disclosed
WO-2003047582-A1 QUINOLINE DERIVATIVES AS ANTITUMOUR AGENTS ASTRAZENECA AB (SE) 2003-06-12 — — WO disclosed
WO-2003045364-A2 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-06-05 — — WO disclosed
EP-1313727-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2003-05-28 — — EP disclosed
WO-2003008409-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2003-01-30 — — WO disclosed
WO-2002016352-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 — — WO disclosed
US-5948817-A Polycyclic ethyl alkylamide melatonergic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1999-09-07 — — US disclosed
WO-1998038991-A1 POLYCYCLIC ETHYL ALKYLAMIDE MELATONERGIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-09-11 — — 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-20240400561-A1 NOVEL SUBSTITUTED SULFONYLUREA COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY IL1B, IL1A, IL18 AOC3 3818/4885ALDH1A1 762/4885MAPK1 315/4885
US-20240109901-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OXTR AOC3 406/4885ALDH1A1 3132/4885MAPK1 2591/4885
US-12378254-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators HCRTR2, HCRTR1, OXTR AOC3 406/4885ALDH1A1 3132/4885MAPK1 2591/4885
US-20230138851-A1 NOVEL ALKYNE DERIVATIVES DYRK1B, DYRK3, DYRK2 AOC3 3131/4885ALDH1A1 1453/4885MAPK1 1513/4885
US-11667644-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators HCRTR2, HCRTR1, OXTR AOC3 406/4885ALDH1A1 3132/4885MAPK1 2591/4885

“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.