SCHEMBL117563

SCHEMBL117563

Nc1ncccc1B(O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.52
NOS2 P35228 4/20 0.52
NOS1 P29475 2/20 0.52
NAPRT Q6XQN6 1/20 0.45
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
MAP4K4 O95819 1/20 0.37
PRKCI P41743 2/20 0.37
PLG P00747 1/20 0.37
F12 P00748 1/20 0.37
F11 P03951 1/20 0.37
KLKB1 P03952 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
LTA4H P09960 1/20 0.36
MAPK14 Q16539 1/20 0.36
HSP90AA1 P07900 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL29952309 1.00 NOS3 (0.52) NOS3NOS2NOS1NAPRTMKNK1
SCHEMBL29197928 0.98 NOS3 (0.50) NOS3NOS2NOS1NAPRTMKNK1
SCHEMBL377104 0.76 ENPP2 (0.38) NOS3NOS2NOS1HSP90AA1KDM4E
SCHEMBL29823712 0.76 ENPP2 (0.38) NOS3NOS2NOS1HSP90AA1KDM4E
SCHEMBL29232877 0.74 ENPP2 (0.37) NOS3NOS2NOS1HSP90AA1KDM4E
SCHEMBL29515564 0.74 P2RX7 (0.41) NOS3NOS2NOS1MKNK1MKNK2
SCHEMBL586439 0.74 P2RX7 (0.41) NOS3NOS2NOS1MKNK1MKNK2
SCHEMBL1694862 0.74 NOS3 (0.37) NOS3NOS2NOS1NAPRTLTA4H
Hydrochloric Acid SCHEMBL14797461 0.73 P2RX7 (0.40) NOS3NOS2NOS1MKNK1MKNK2
SCHEMBL315754 0.73 SMN1; SMN2 (0.45) ALDH1A1KMT2ASMN1; SMN2ENPP2

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 58 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
US-20260078117-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS INC (US) 2026-03-19 US disclosed
US-20250282749-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2025-09-11 US disclosed
WO-2025128834-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2025-06-19 WO disclosed
US-12304907-B2 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2025-05-20 US disclosed
US-12264154-B2 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2025-04-01 US disclosed
EP-4469445-A1 COMPOUNDS AND METHODS OF USE Tango Therapeutics, Inc. (US) 2024-12-04 EP disclosed
US-20240279219-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-08-22 US disclosed
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 US disclosed
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 US disclosed
US-20160252505-A1 VOLUME RESPONSE SENSORS HAVING ANALYTE CONTROLLED REVERSIBLE CROSSLINKING THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOI S (US) 2016-09-01 US disclosed
WO-2016090296-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS ANANTHAN SUBRAMANIAM (US) 2016-06-09 WO disclosed
US-20160159809-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS SOUTHERN RESEARCH INSTITUTE 2016-06-09 US disclosed
WO-2015127284-A2 ANTIMITOTIC AMIDES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS FROST BIOLOGIC, INC. (US) 2015-08-27 WO disclosed
WO-2015053975-A1 VOLUME RESPONSE SENSORS HAVING CONTROLLED REVERSIBLE CROSSLINKING THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-04-16 WO disclosed
EP-2424865-A2 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP disclosed
WO-2012021712-A1 TETRACYCLINE ANALOGS TETRAPHASE PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
WO-2012021712-A1 TETRACYCLINE ANALOGS TETRAPHASE PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
WO-2010127237-A2 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 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-20250282749-A1 COMPOUNDS AND METHODS OF USE CYP1B1, CYP2C19, UGT1A1 NOS3 2248/4885NOS2 1667/4885NOS1 1739/4885
US-20240279219-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 NOS3 556/4885NOS2 760/4885NOS1 619/4885
US-12264154-B2 Compounds and methods of use F12, C1R, ABCG2 NOS3 556/4885NOS2 760/4885NOS1 619/4885
US-20160159809-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS SLC18A2, SLC6A2, SLC6A3 NOS3 872/4885NOS2 956/4885NOS1 689/4885
US-12304907-B2 Compounds and methods of use F12, C1R, ABCG2 NOS3 556/4885NOS2 760/4885NOS1 619/4885
US-20240228478-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 NOS3 556/4885NOS2 760/4885NOS1 619/4885
US-20260078117-A1 COMPOUNDS AND METHODS OF USE NR3C2, ADRA1A, CNR1 NOS3 2054/4885NOS2 2040/4885NOS1 1666/4885

“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.