Sugi Predict

Sugi Predict / Compounds / SCHEMBL98202

SCHEMBL98202

SCHEMBL98202

[NH]CCc1ccc(O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.68
▸ ESR2 Q92731 2/20 0.68
▸ CA2 P00918 1/20 0.59
▸ ALDH1A1 P00352 3/20 0.56
▸ ADRA2A P08913 3/20 0.56
▸ SLC6A2 P23975 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ HTR1A P08908 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ HTR3A P46098 1/20 0.56
▸ BACE1 P56817 1/20 0.56
▸ TAAR1 Q96RJ0 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ BLM P54132 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ LTA4H P09960 1/20 0.54
▸ TMEM97 Q5BJF2 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ ADORA3 P0DMS8 2/20 0.48

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
SCHEMBL7288786 0.84 ESR1 (0.62) ESR1ESR2CA2ALDH1A1ADRA2A
SCHEMBL31287319 0.83 ESR1 (0.68) ESR1ESR2CA2ALDH1A1ADRA2A
SCHEMBL10667653 0.82 ESR1 (0.59) ESR1ESR2CA2ALDH1A1ADRA2A
SCHEMBL69344 0.82 ESR1 (1.00) ESR1ESR2CA2ALDH1A1ADRA2A
SCHEMBL3873458 0.82 ESR1 (1.00) ESR1ESR2CA2ALDH1A1ADRA2A
SCHEMBL10667336 0.80 ESR1 (0.63) ESR1ESR2CA2ALDH1A1ADRA2A
SCHEMBL1171041 0.77 ESR1 (0.77) ESR1ESR2CA2ALDH1A1ADRA2A
SCHEMBL245139 0.77 ESR1 (0.77) ESR1ESR2CA2ALDH1A1ADRA2A
SCHEMBL63122 0.77 — —
SCHEMBL449737 0.77 ESR1 (0.77) ESR1ESR2CA2ALDH1A1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118307501-A Dihydrophenanthropyrrole compound, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-07-09 — — CN claimed
CN-118059113-A Application of anemonin B4 derivative in preparation of medicine for preventing and treating psoriasis 苏州大学 2024-05-24 — — CN claimed
CN-117567543-A Anemonin B4 derivative and preparation method and application thereof 苏州大学 2024-02-20 — — CN claimed
EP-2426139-A1 CXCR4 antagonist and use thereof Biokine Therapeutics Ltd. (IL) 2012-03-07 — — EP claimed
US-8017585-B2 CXCR4 antagonist and use thereof BIOKINE THERAPEUTICS LTD. (IL) 2011-09-13 — — US claimed
US-20090181897-A1 CXCR4 ANTAGONIST AND USE THEREOF BIOKINE THERAPEUTICS LTD. (IL) 2009-07-16 — — US claimed
US-20090043111-A1 Novel process for ropinirole preparation LIU MEIZHENG 2009-02-12 — — US claimed
US-20060264378-A1 Cxcr4 antagonist and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-23 — — US claimed
EP-1412328-B1 DOLASTATIN 10 DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-10-04 — — EP claimed
US-20060074105-A1 Substituted quinoline and quinazoline inhibitors of quinone reductase 2 SERENEX, INC. (US) 2006-04-06 — — US claimed
US-20020058788-A1 Facile deprotection of Fmoc protected amino groups DISCOVERY PARTNERS INTERNATIONAL, INC. 2002-05-16 — — US claimed
EP-0873118-A1 TRANSDERMAL ADMINISTRATION OF ROPINIROLE AND ANALOGS THEREOF SMITHKLINE BEECHAM PLC (GB) 1998-10-28 — — EP claimed
US-5807570-A DOPAMINE AGONIST CYGNUS, INC. (US) 1998-09-15 — — US claimed
WO-1997011696-A1 TRANSDERMAL ADMINISTRATION OF ROPINIROLE AND ANALOGS THEREOF CYGNUS, INC. (US) 1997-04-03 — — WO claimed
US-5500428-A Furyl-substituted purines and adenosine antagonists IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-03-19 — — US claimed
US-5300509-A Adenosine antagonists for treating cardiovascular disorders, vasodilation IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-04-05 — — US claimed
US-5252628-A Blends with melanin pigments LIONS EYE INSTITUTE OF WESTERN AUSTRALIA, INC. 1993-10-12 — — US claimed
EP-0544445-A2 Furyl-substituted purines, oxazolopyrimidines and pteridines as adenosine antagonists ZENECA LIMITED (GB) 1993-06-02 — — EP claimed
EP-0113964-B1 4-AMINOALKYL-2(3H)-INDOLONES SMITHKLINE BECKMAN CORPORATION (US) 1986-10-22 — — EP claimed
US-4452808-A HYPOTENSIVE AGENTS SMITHKLINE BECKMAN CORPORATION (US) 1984-06-05 — — US claimed

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-20060074105-A1 Substituted quinoline and quinazoline inhibitors of quinone reductase 2 NQO2, QTRT1, QTRT2 ESR1 4163/4885ESR2 1846/4885CA2 1403/4885
US-20090043111-A1 Novel process for ropinirole preparation PAH, DRD4, DBH ESR1 4083/4885ESR2 3734/4885CA2 1542/4885
US-20090181897-A1 CXCR4 ANTAGONIST AND USE THEREOF CXCR4, ACKR3, CXCR1 ESR1 873/4885ESR2 800/4885CA2 1504/4885
US-20020058788-A1 Facile deprotection of Fmoc protected amino groups DNPEP, LNPEP, NPEPPS ESR1 4557/4885ESR2 3515/4885CA2 3928/4885
US-20060264378-A1 Cxcr4 antagonist and use thereof CXCR4, ACKR3, CXCR1 ESR1 873/4885ESR2 800/4885CA2 1504/4885

“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.