SCHEMBL113132

SCHEMBL113132

Nc1ccc(B(O)O)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.44
NOS2 P35228 1/20 0.44
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43
GABRQ Q9UN88 2/20 0.43
NNMT P40261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL29457387 1.00 NOS3 (0.44) NOS3NOS2GABRPGABRDGABRA1
Hydrochloric Acid SCHEMBL16936348 0.98 NOS3 (0.43) NOS3NOS2GABRPGABRDGABRA1
Hydrochloric Acid SCHEMBL29950773 0.98 NOS3 (0.43) NOS3NOS2GABRPGABRDGABRA1
SCHEMBL3346597 0.88 NOS3 (0.41) NOS3NOS2GABRPGABRDGABRA1
SCHEMBL17320949 0.83 MKNK1 (0.55) NOS3NOS2GABRPGABRDGABRA1
SCHEMBL21275875 0.77 NOS3 (0.42) NOS3NOS2GABRPGABRDGABRA1
SCHEMBL22841181 0.76 ENPP2 (0.39) KDM4EENPP2CA2CA1TSHR
SCHEMBL26314552 0.75 ENPP2 (0.42) KDM4EHDAC6ENPP2CA2CA1
SCHEMBL38656446 0.75 ENPP2 (0.42) KDM4EHDAC6ENPP2CA2CA1
SCHEMBL15915926 0.73 FEN1 (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113136020-B Water-based polyurethane polymer and preparation method thereof, single-component water-based polyurethane waterproof coating and preparation method and application thereof 万华化学集团股份有限公司 2022-08-05 CN claimed
CN-113136020-A Water-based polyurethane polymer and preparation method thereof, single-component water-based polyurethane waterproof coating and preparation method and application thereof 万华化学集团股份有限公司 2021-07-20 CN claimed
WO-2026098560-A2 BENZENE-CONTAINING POLYCYCLIC DERIVATIVE MODULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2026-05-15 WO disclosed
CN-122055367-A 5-Oxo-4, 5-dihydroimidazo [1,5-a ] quinazoline compounds as PI3K [ alpha ] inhibitors 皮卡维森治疗学股份有限公司 2026-05-15 CN disclosed
EP-4212523-B1 PYRAZOLE AMIDE COMPOUNDS AS IRAK INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2026-05-06 EP disclosed
EP-4695226-A1 GLUCOSE-DEPENDENT INSULINOTROPIC POLYPEPTIDE RECEPTOR ANTAGONISTS AND USES THEREOF Pfizer Inc. (US) 2026-02-18 EP disclosed
EP-4695251-A1 IMIDAZO[1,2-A]PYRAZINE DERIVATIVES Syngenta Crop Protection AG (CH) 2026-02-18 EP disclosed
EP-4694686-A1 FUNGICIDAL COMPOSITIONS Syngenta Crop Protection AG (CH) 2026-02-18 EP disclosed
US-12544359-B2 1-aminosulfonyl-2-carboxypyrrole derivatives as metallo-beta-lactamase inhibitors Infex Therapeutics Limited (GB) 2026-02-10 US disclosed
US-20260034101-A1 ANTIMITOTIC AMIDES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS FROST BIOLOGIC INC (US) 2026-02-05 US disclosed
US-20260014147-A1 STAT6 DEGRADERS GILEAD SCIENCES INC (US) 2026-01-15 US disclosed
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2008-08-14 US disclosed
WO-2008073785-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-19 WO disclosed
WO-2008070740-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO disclosed
WO-2008052733-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-05-08 WO disclosed
EP-1379516-B1 ALKOXYCARBONYLAMINO BENZOIC ACID OR ALKOXYCARBONYLAMINO TETRAZOLYL PHENYL DERIVATIVES AS IP ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-11-16 EP disclosed
US-6903086-B2 Alkoxycarbonylamino benzoic acid or alkoxycarbonylamino tetrazolyl phenyl derivatives as IP antagonists SYNTEX (U.S.A.) LLC (US) 2005-06-07 US disclosed
EP-1379516-A1 ALKOXYCARBONYLAMINO BENZOIC ACID OR ALKOXYCARBONYLAMINO TETRAZOLYL PHENYL DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
US-20020165235-A1 Alkoxycarbonylamino benzoic acid or alkoxycarbonylamino tetrazolyl phenyl derivatives as IP antagonists SYNTEX (U.S.A.) LLC 2002-11-07 US disclosed
WO-2002070500-A1 ALKOXYCARBONYLAMINO BENZOIC ACID OR ALKOXYCARBONYLAMINO TETRAZOLYL PHENYL DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-12 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-20020165235-A1 Alkoxycarbonylamino benzoic acid or alkoxycarbonylamino tetrazolyl phenyl derivatives as IP antagonists GPBAR1, GABRP, TBXA2R NOS3 4252/4885NOS2 4188/4885GABRP 2/4885
US-12544359-B2 1-aminosulfonyl-2-carboxypyrrole derivatives as metallo-beta-lactamase inhibitors CBR1, CBR3, SRR NOS3 2145/4885NOS2 2399/4885GABRP 1017/4885
US-20260034101-A1 ANTIMITOTIC AMIDES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS NCOR1, NR0B1, NCOR2 NOS3 1986/4885NOS2 2448/4885GABRP 2541/4885
US-20260014147-A1 STAT6 DEGRADERS STAT6, NCOR1, CBR1 NOS3 596/4885NOS2 1281/4885GABRP 3181/4885
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors RPS6KB1, RPS6KA1, RPS3A NOS3 2263/4885NOS2 2710/4885GABRP 1741/4885

“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.