Sugi Predict

Sugi Predict / Compounds / SCHEMBL2878741

SCHEMBL2878741

SCHEMBL2878741

COC(=O)c1cccc(-c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.65
▸ KMT2A Q03164 5/20 0.65
▸ SLC6A4 P31645 1/20 0.60
▸ ALDH1A1 P00352 4/20 0.59
▸ ERN1 O75460 1/20 0.58
▸ MAPT P10636 3/20 0.56
▸ POLB P06746 2/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ CA12 O43570 1/20 0.56
▸ CA1 P00915 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ CA9 Q16790 1/20 0.56
▸ CES2 O00748 1/20 0.54
▸ CES1 P23141 1/20 0.54
▸ ABCB1 P08183 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ CTDSP1 Q9GZU7 1/20 0.52

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
SCHEMBL29441715 1.00 MEN1 (0.65) MEN1KMT2ASLC6A4ALDH1A1ERN1
SCHEMBL1572442 0.91 MEN1 (0.76) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL31103641 0.91 MEN1 (0.76) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL2031327 0.90 CA12 (0.62) MEN1KMT2AALDH1A1ERN1MAPT
SCHEMBL3913268 0.90 PLG (0.59) MEN1KMT2ASLC6A4ALDH1A1ERN1
SCHEMBL29441683 0.90 PLG (0.59) MEN1KMT2ASLC6A4ALDH1A1ERN1
Methane SCHEMBL28043489 0.89 MEN1 (0.74) MEN1KMT2AALDH1A1MAPTPOLB
Ammonia Solution, Strong SCHEMBL27704150 0.89 MEN1 (0.74) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL27858189 0.89 MEN1 (0.74) MEN1KMT2AALDH1A1MAPTPOLB
Fluoride SCHEMBL28307367 0.89 MEN1 (0.74) MEN1KMT2AALDH1A1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12435026-B2 Solabegron zwitterion and uses thereof B3AR THERAPEUTICS, INC. (US) 2025-10-07 — — US disclosed
US-20240124391-A1 SOLABEGRON ZWITTERION AND USES THEREOF B3AR THERAPEUTICS, INC. (US) 2024-04-18 — — US disclosed
EP-3365321-B1 SOLABEGRON ZWITTERION AND USES THEREOF B3AR THERAPEUTICS INC (US) 2023-12-13 — — EP disclosed
US-11691944-B2 Solabegron zwitterion and uses thereof B3AR THERAPEUTICS, INC. (US) 2023-07-04 — — US disclosed
US-11691944-B2 Solabegron zwitterion and uses thereof B3AR THERAPEUTICS, INC. (US) 2023-07-04 — — US disclosed
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2023-01-19 — — US disclosed
US-20210317073-A1 SOLABEGRON ZWITTERION AND USES THEREOF VELICEPT (ASSIGNMENT FOR THE BENEFIT OF CREDITORS), LLC 2021-10-14 — — US disclosed
US-10947224-B2 Hepatitis B core protein allosteric modulators INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2021-03-16 — — US disclosed
US-10844004-B2 Solabegron zwitterion and uses thereof VELICEPT THERAPEUTICS, INC. (US) 2020-11-24 — — US disclosed
EP-3607950-A2 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research & Technology Corporation (US) 2020-02-12 — — EP disclosed
US-6251925-B1 AN AGONISTS FOR HUMAN BETA-3 ADRENOCEPTOR GLAXO WELLCOME INC. 2001-06-26 — — US disclosed
WO-2001042217-A1 BETA-3 ADRENOCEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2001-06-14 — — WO disclosed
EP-1087943-A1 THERAPEUTIC BIARYL DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-04-04 — — EP disclosed
WO-1999065877-A1 THERAPEUTIC BIARYL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-12-23 — — WO disclosed
US-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 — — US disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 — — US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 — — US disclosed
CN-1123545-A Guanidine derivatives as inhibitors of Na+/H+ exchange in cells FUJISAWA PHARMACEUTICAL CO (JP) 1996-05-29 — — CN disclosed
EP-0699185-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-03-06 — — EP disclosed
WO-1994026709-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+/H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 — — 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-11691944-B2 Solabegron zwitterion and uses thereof KLK3, BPHL, KLK5 MEN1 2022/4885KMT2A 3221/4885SLC6A4 450/4885
US-12435026-B2 Solabegron zwitterion and uses thereof KLK3, BPHL, KLK5 MEN1 2022/4885KMT2A 3221/4885SLC6A4 450/4885
US-10844004-B2 Solabegron zwitterion and uses thereof KLK3, BPHL, KLK5 MEN1 2022/4885KMT2A 3221/4885SLC6A4 450/4885
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 MEN1 4861/4885KMT2A 3024/4885SLC6A4 4315/4885
US-20210317073-A1 SOLABEGRON ZWITTERION AND USES THEREOF KLK3, BPHL, KLK5 MEN1 2022/4885KMT2A 3221/4885SLC6A4 450/4885
US-20240124391-A1 SOLABEGRON ZWITTERION AND USES THEREOF KLK3, BPHL, KLK5 MEN1 2022/4885KMT2A 3221/4885SLC6A4 450/4885
US-10947224-B2 Hepatitis B core protein allosteric modulators HAVCR2, MAVS, FABP1 MEN1 4861/4885KMT2A 3024/4885SLC6A4 4315/4885

“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.