SCHEMBL248787

SCHEMBL248787

Cc1ccncc1B(O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP2A6 P11509 5/20 0.36
CYP2E1 P05181 4/20 0.36
CYP3A4 P08684 4/20 0.36
CYP2D6 P10635 4/20 0.36
CYP2C9 P11712 4/20 0.36
CYP2B6 P20813 4/20 0.36
CYP2C19 P33261 4/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C8 P10632 3/20 0.36
NAPRT Q6XQN6 1/20 0.34
TRPA1 O75762 1/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
CA2 P00918 1/20 0.32
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
PTGS2 P35354 2/20 0.32
CHRNB2 P17787 1/20 0.32

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
SCHEMBL29628428 1.00 SIRT3 (0.45) SIRT3TDP1CYP2A6CYP2E1CYP3A4
Hydrochloric Acid SCHEMBL15953194 0.98 SIRT3 (0.44) SIRT3TDP1CYP2A6CYP2E1CYP3A4
Hydrochloric Acid SCHEMBL29954682 0.98 SIRT3 (0.44) SIRT3TDP1CYP2A6CYP2E1CYP3A4
SCHEMBL23110401 0.85 SIRT3 (0.41) SIRT3TDP1CYP2A6CYP2E1CYP3A4
SCHEMBL708913 0.81 SIRT3 (0.41) SIRT3TDP1CYP2A6CYP2E1CYP3A4
SCHEMBL28204392 0.80 SIRT3 (0.38) SIRT3TDP1CYP2A6CYP2E1CYP3A4
Hydrochloric Acid SCHEMBL29958203 0.79 SIRT3 (0.39) SIRT3TDP1CYP2A6CYP2E1CYP3A4
Hydrochloric Acid SCHEMBL14797240 0.79 SIRT3 (0.39) SIRT3TDP1CYP2A6CYP2E1CYP3A4
SCHEMBL28376434 0.76 KDM4E (0.38) SIRT3TDP1NAPRT
SCHEMBL361105 0.74 GAA (0.46) SIRT3TDP1CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111640954-A Preparation method and application of boron-doped porous graphene cathode catalyst 上海交通大学 2020-09-08 CN claimed
US-10385046-B1 Processes for preparing benzothiazol compounds and methods of using the same for treating neurodegenerative disorders 1ST Biotherapeutics, Inc. (KR) 2019-08-20 US claimed
CN-117024411-B Isoquinoline as HPK1 inhibitor 豪夫迈·罗氏有限公司 2026-05-19 CN disclosed
US-20260124222-A1 ISOTHIAZOLYLCARBOXAMIDE COMPOUNDS AND THEIR USE IN THERAPY HOTSPOT THERAPEUTICS INC (US) 2026-05-07 US disclosed
US-12534461-B2 Imidazopyridinyl compounds and use thereof for treatment of neurodegenerative disorders 1ST Biotherapeutics, Inc. (KR) 2026-01-27 US disclosed
US-20260007680-A1 Compounds and Their Use as PDE4 Activators MIRONID LIMITED (GB) 2026-01-08 US disclosed
US-12421257-B2 Compositions and methods for inhibiting group II intron RNA YALE UNIVERSITY (US) 2025-09-23 US disclosed
EP-3351533-B1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME KAKEN PHARMA CO LTD (JP) 2025-07-23 EP disclosed
US-20250026743-A1 HETEROARYL-LINKED ANALOGS AS MGLU5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY 2025-01-23 US disclosed
US-12195472-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2025-01-14 US disclosed
US-20240390350-A1 PHENYL CORE COMPOUNDS AS MGLU5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY 2024-11-28 US disclosed
WO-2003027094-A2 SUBSTITUTED 3-PYRIDYL INDOLES AND INDAZOLES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed
US-6235758-B1 CENTRAL NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-22 US disclosed
EP-0808312-B1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 2000-11-02 EP disclosed
US-5990133-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS ANXIETY OR DEPRESSION SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US disclosed
EP-0808312-A1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 1997-11-26 EP disclosed
WO-1996023783-A1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 1996-08-08 WO disclosed
US-5358948-A Psychological, nervous system disorders GLAXCO GROUP LIMITED (GB) 1994-10-25 US disclosed
WO-1993006084-A1 BENZANILIDE DERIVATIVES AS 5-HT1D ANTAGONISTS GLAXO GROUP LIMITED (GB) 1993-04-01 WO disclosed
EP-0533267-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 EP 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 (8 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-12421257-B2 Compositions and methods for inhibiting group II intron RNA NSUN2, RBM22, RNGTT SIRT3 3439/4885TDP1 1531/4885CYP2A6 4012/4885
US-12534461-B2 Imidazopyridinyl compounds and use thereof for treatment of neurodegenerative disorders SNCA, HCRTR2, HTT SIRT3 692/4885TDP1 1655/4885CYP2A6 2097/4885
US-20250026743-A1 HETEROARYL-LINKED ANALOGS AS MGLU5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME GRM5, GRIK5, GRM2 SIRT3 3033/4885TDP1 1963/4885CYP2A6 2886/4885
US-20240390350-A1 PHENYL CORE COMPOUNDS AS MGLU5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME GRM5, GRIK5, GRM2 SIRT3 3227/4885TDP1 1786/4885CYP2A6 3001/4885
US-20260007680-A1 Compounds and Their Use as PDE4 Activators PDE4A, PDE7A, PDE4B SIRT3 1179/4885TDP1 472/4885CYP2A6 298/4885
US-10385046-B1 Processes for preparing benzothiazol compounds and methods of using the same for treating neurodegenerative disorders SNCA, PARK7, PSEN2 SIRT3 1579/4885TDP1 64/4885CYP2A6 2561/4885
US-12195472-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL3 SIRT3 1141/4885TDP1 1795/4885CYP2A6 4451/4885
US-20260124222-A1 ISOTHIAZOLYLCARBOXAMIDE COMPOUNDS AND THEIR USE IN THERAPY MALT1, BCL6, BCL6B SIRT3 3439/4885TDP1 2529/4885CYP2A6 882/4885

“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.