SCHEMBL188413

SCHEMBL188413

CC(=O)C(=O)C1CNc2nc(N)[nH]c(=O)c2N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 9/20 0.56
▸ CASP7 P55210 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ USP2 O75604 1/20 0.56
▸ KDM4E B2RXH2 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ BLM P54132 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ GLA P06280 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ PMP22 Q01453 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ NOS3 P29474 2/20 0.54
▸ NOS2 P35228 2/20 0.54
▸ PAH P00439 1/20 0.47
▸ FPGS Q05932 2/20 0.39
▸ SOST Q9BQB4 1/20 0.38
▸ GART P22102 1/20 0.37

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
SCHEMBL19410958 0.85 NOS1 (0.59) NOS1CASP7HSD17B10USP2KDM4E
SCHEMBL20375133 0.83 NOS1 (0.58) NOS1CASP7HSD17B10USP2KDM4E
SCHEMBL20374993 0.83 NOS1 (0.58) NOS1CASP7HSD17B10USP2KDM4E
SCHEMBL16572892 0.82 NOS1 (0.64) NOS1CASP7HSD17B10USP2KDM4E
SCHEMBL16564323 0.82 NOS1 (0.64) NOS1CASP7HSD17B10USP2KDM4E
SCHEMBL16572883 0.82 NOS1 (0.64) NOS1CASP7HSD17B10USP2KDM4E
SCHEMBL1858785 0.82 NOS1 (0.64) NOS1CASP7HSD17B10USP2KDM4E
SCHEMBL20375021 0.82 NOS1 (0.64) NOS1CASP7HSD17B10USP2KDM4E
SCHEMBL16572891 0.82 NOS1 (0.64) NOS1CASP7HSD17B10USP2KDM4E
SCHEMBL16564266 0.82 NOS1 (0.64) NOS1CASP7HSD17B10USP2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115003804-A Gene construct 治疗基因有限责任公司 2022-09-02 — — CN claimed
EP-4013858-A1 GENETIC CONSTRUCT Healing Genes LLC (US) 2022-06-22 — — EP claimed
CN-119925601-A Application of tetrahydrobiopterin pathway as target in anti-QDPR deletion type tumor 中山大学肿瘤防治中心(中山大学附属肿瘤医院、中山大学肿瘤研究所) 2025-05-06 — — CN disclosed
CN-119317441-A Alpha 1-antitrypsin for the treatment of diseases or conditions of the nervous system such as chronic inflammatory demyelinating polyneuropathy 阿格罗尼克斯股份有限公司 2025-01-14 — — CN disclosed
CN-118460586-A Overexpression vector, cofactor-independent 5-HTP synthetic strain, method and application 天津科技大学 2024-08-09 — — CN disclosed
WO-2023215819-A2 ANTIPARASITIC AGENTS AND METHODS WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2023-11-09 — — WO disclosed
CN-116735739-A Method for rapidly detecting neopterin, biopterin, pterin and 7-biopterin in urine 广州市妇女儿童医疗中心 2023-09-12 — — CN disclosed
CN-115003804-A Gene construct 治疗基因有限责任公司 2022-09-02 — — CN disclosed
CN-105829541-B Microorganisms producing benzylisoquinoline alkaloid (BIA) precursors and methods of making and using the same 小利兰·斯坦福大学托管委员会 2022-08-12 — — CN disclosed
EP-4013858-A1 GENETIC CONSTRUCT Healing Genes LLC (US) 2022-06-22 — — EP disclosed
CN-114302951-A Methods for increasing production of morphinan alkaloids and derivatives 安思雅公司 2022-04-08 — — CN disclosed
US-20120185226-A1 MAMMALIAN CELL LINE MODELS AND RELATED METHODS GENOMATICA, INC. (US) 2012-07-19 — — US disclosed
WO-2012027533-A1 SELECTABLE MARKERS AND RELATED METHODS GT LIFE SCIENCES, INC. (US) 2012-03-01 — — WO disclosed
EP-2401696-A1 MAMMALIAN CELL LINE MODELS AND RELATED METHODS GT Life Sciences, Inc. (US) 2012-01-04 — — EP disclosed
US-20110246081-A1 Metabolomics-Based Identification of Disease-Causing Agents GEORGIA TECH RESEARCH CORPORATION (US) 2011-10-06 — — US disclosed
WO-2010098865-A1 MAMMALIAN CELL LINE MODELS AND RELATED METHODS GT LIFE SCIENCES, INC. (US) 2010-09-02 — — WO disclosed
WO-2009052186-A1 METABOLOMICS-BASED IDENTIFICATION OF DISEASE-CAUSING AGENTS GEORGIA TECH RESEARCH CORPORATION (US) 2009-04-23 — — WO disclosed
US-7504095-B2 2,10-dioxo,2,12,12-trihydroxy,8-amino-4,4a,5a,6,9,10,11,11a,12,12a-decahydropterino(6',7':5,6)pyrano(2,3-d)-1,3,2-dioxaphosphorin TECHNISCHE UNIVERSITAET BRAUNSCHWEIG (DE) 2009-03-17 — — US disclosed
US-20070037250-A1 2,10-dioxo,2,12,12-trihydroxy,8-amino-4,4a,5a,6,9,10,11,11a,12,12a-decahydropterino(6',7':5,6)pyrano(2,3-d)-1,3,2-dioxaphosphorin PHOENIX TISSUE REPAIR, INC. 2007-02-15 — — US disclosed
US-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions 4 AZA BIOSCIENCE NV (BE) 2007-02-08 — — US 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 (1 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-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions TPMT, TYMS, TNF NOS1 107/4885CASP7 3275/4885HSD17B10 3376/4885

“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.

Send feedback