Sugi Predict

Sugi Predict / Compounds / SCHEMBL3264030

SCHEMBL3264030

SCHEMBL3264030

O=C(OCc1ccccc1)c1c[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 2/20 0.61
▸ CREBBP Q92793 1/20 0.60
▸ GABRP O00591 1/20 0.56
▸ GABRD O14764 1/20 0.56
▸ GABRA1 P14867 1/20 0.56
▸ GABRB1 P18505 1/20 0.56
▸ GABRG2 P18507 1/20 0.56
▸ GABRB3 P28472 1/20 0.56
▸ GABRA5 P31644 1/20 0.56
▸ GABRA3 P34903 1/20 0.56
▸ GABRA2 P47869 1/20 0.56
▸ GABRB2 P47870 1/20 0.56
▸ GABRA4 P48169 1/20 0.56
▸ GABRE P78334 1/20 0.56
▸ GABRA6 Q16445 1/20 0.56
▸ GABRG1 Q8N1C3 1/20 0.56
▸ GABRG3 Q99928 1/20 0.56
▸ GABRQ Q9UN88 1/20 0.56
▸ GPR84 Q9NQS5 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.55

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
SCHEMBL7280147 0.89 KDR (0.55) NR4A2CREBBPGPR84ALDH1A1CYP1A2
SCHEMBL7835246 0.86 TDP1 (0.52) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL14793753 0.86 TDP1 (0.52) NR4A2GABRPGABRDGABRA1GABRB1
SCHEMBL7636009 0.85 GABRA1 (0.60) NR4A2CREBBPGABRPGABRDGABRA1
SCHEMBL7280152 0.85 NR4A2 (0.51) NR4A2CREBBPGPR84ALDH1A1CYP1A2
SCHEMBL16920143 0.84 NR4A2 (0.61) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL22479155 0.84 ALDH1A1 (0.49) NR4A2CREBBPGABRA1GABRB1GABRA3
SCHEMBL22479157 0.84 GABRA1 (0.49) NR4A2CREBBPGABRPGABRDGABRA1
SCHEMBL28794896 0.84 ALDH1A1 (0.51) NR4A2GABRA1GABRB1GABRA3GABRB2
SCHEMBL7425563 0.82 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C9TSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105273043-A Amino-acid benzyl ester modified beta-carboline, activity, nanometer structure, synthesis and application UNIV CAPITAL MEDICAL SCIENCES 2016-01-27 — — CN claimed
CN-105237616-A Amino acid benzyl ester-modified beta-carbolines, activities, nanostructures, synthesis, and applications thereof UNIV CAPITAL MEDICAL SCIENCES 2016-01-13 — — CN claimed
US-20040063758-A1 INHIBITORS OF BACTERIAL NAD SYNTHETASE BROUILLETTE WAYNE J (US) 2004-04-01 — — US claimed
EP-1377549-A1 FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR Millennium Pharmaceuticals, Inc. (US) 2004-01-07 — — EP claimed
WO-2002072549-A1 FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-09-19 — — WO claimed
JP-2002509149-A — — 2002-03-26 — — JP claimed
EP-0790254-B1 Pseudopeptides derived from neurokinines, process of preparation and pharmaceutical compositions comprising them ADIR (FR) 2001-08-22 — — EP claimed
EP-1109805-A1 INHIBITORS OF BACTERIAL NAD SYNTHETASE The UAB Research Foundation (US) 2001-06-27 — — EP claimed
EP-1047692-A1 METHODS OF SYNTHESIZING AND SCREENING INHIBITORS OF BACTERIAL NAD SYNTHETASE ENZYME, COMPOUNDS THEREOF AND METHODS OF TREATING BACTERIAL AND MICROBIAL INFECTIONS WITH THESE INHIBITORS THE UAB RESEARCH FOUNDATION (US) 2000-11-02 — — EP claimed
WO-2000010996-A1 INHIBITORS OF BACTERIAL NAD SYNTHETASE THE UAB RESEARCH FOUNDATION (US) 2000-03-02 — — WO claimed
WO-1999036422-A1 METHODS OF SYNTHESIZING AND SCREENING INHIBITORS OF BACTERIAL NAD SYNTHETASE ENZYME, COMPOUNDS THEREOF, AND METHODS OF TREATING BACTERIAL AND MICROBIAL INFECTIONS WITH INHIBITORS OF BACTERIAL NAD SYNTHETASE ENZYME THE UAB RESEARCH FOUNDATION (US) 1999-07-22 — — WO claimed
CN-1164537-A New pseudopeptides derived from neurokinins, process for preparing them and pharmaceutical compositions contianing them ADIR (FR) 1997-11-12 — — CN claimed
CN-119954810-A Regulator of fused ring derivative, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-05-09 — — CN disclosed
CN-117229281-A Di-parallel ring derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-12-15 — — CN disclosed
US-20190127366-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2019-05-02 — — US disclosed
US-20190127366-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2019-05-02 — — US disclosed
EP-0648208-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5 ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-04-19 — — EP disclosed
EP-0620824-A1 PEPTIDES WITH TACHYKININ ANTAGONIST ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-26 — — EP disclosed
WO-1994022821-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5 ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 — — WO disclosed
WO-1993014113-A1 PEPTIDES WITH TACHYKININ ANTAGONIST ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-22 — — 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 (2 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-20040063758-A1 INHIBITORS OF BACTERIAL NAD SYNTHETASE COASY, NADK, NQO1 NR4A2 2745/4885CREBBP 737/4885GABRP 3108/4885
US-20190127366-A1 THERAPEUTIC INHIBITORY COMPOUNDS CFD, CFH, C9 NR4A2 1735/4885CREBBP 1293/4885GABRP 1742/4885

“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.