SCHEMBL258405

SCHEMBL258405

C[C@@H](O)[C@@H](O)C1=Nc2c(nc(N)[nH]c2=O)NC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.63
CASP7 P55210 2/20 0.63
KDM4E B2RXH2 2/20 0.63
MAPT P10636 2/20 0.63
BLM P54132 2/20 0.63
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
RGS12 O14924 1/20 0.63
LMNA P02545 1/20 0.63
CYP3A4 P08684 1/20 0.63
CASP1 P29466 1/20 0.63
GNAI1 P63096 1/20 0.63
HIF1A Q16665 1/20 0.63
NOS1 P29475 7/20 0.44
USP2 O75604 1/20 0.44
PAH P00439 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
PMP22 Q01453 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
SCHEMBL21009255 1.00 HSD17B10 (0.63) HSD17B10CASP7KDM4EMAPTBLM
SCHEMBL31026287 1.00 HSD17B10 (0.63) HSD17B10CASP7KDM4EMAPTBLM
SCHEMBL29365035 1.00 HSD17B10 (0.63) HSD17B10CASP7KDM4EMAPTBLM
SCHEMBL31484058 0.84 CASP7 (0.54) HSD17B10CASP7KDM4EMAPTBLM
SCHEMBL29652072 0.84 CASP7 (0.54) HSD17B10CASP7KDM4EMAPTBLM
SCHEMBL14714646 0.83 CASP7 (0.62) HSD17B10CASP7KDM4EMAPTBLM
SCHEMBL26499714 0.81 MAPT (0.56) HSD17B10CASP7KDM4EMAPTBLM
SCHEMBL18257461 0.79 KDM4E (0.43) HSD17B10CASP7KDM4EMAPTBLM
SCHEMBL18658771 0.79 KDM4E (0.43) HSD17B10CASP7KDM4EMAPTBLM
SCHEMBL15325116 0.79 KDM4E (0.43) HSD17B10CASP7KDM4EMAPTBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747627-A1 METHODS AND SYSTEMS FOR PREDICTIVE CLASSIFICATION BY MASS SPECTROMETRY AND TRAINED LARGE SPECTRAL MODELS Matterworks Inc (US) 2026-05-27 EP claimed
US-12584924-B2 Compositions and methods for diagnosing and treating chronic kidney disease SOCIETE DES PRODUITS NESTLE S.A. (CH) 2026-03-24 US claimed
US-20250295658-A1 ANTIPARASITIC AGENTS AND METHODS WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH 2025-09-25 US claimed
US-12292445-B2 Methods of selecting subjects for treatment with metabolomic modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-05-06 US 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 claimed
CN-119837879-A Use of aminopterin and its metabolites for treating radiation exposure PTC医疗MP公司 2025-04-18 CN claimed
WO-2025040681-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PHENYLKETONURIA PLUVIA AS (NO) 2025-02-27 WO claimed
WO-2025019764-A1 METHODS AND SYSTEMS FOR PREDICTIVE CLASSIFICATION BY MASS SPECTROMETRY AND TRAINED LARGE SPECTRAL MODELS MATTERWORKS INC (US) 2025-01-23 WO claimed
EP-4437319-A1 METHODS AND COMPOSITIONS FOR ANALYTE QUANTIFICATION Matterworks Inc (US) 2024-10-02 EP claimed
EP-2456432-B1 COMPOSITIONS TO REDUCE OXIDATIVE STRESS UNIV MASSACHUSETTS (US) 2024-02-28 EP claimed
US-20060008869-A1 Process for production of biopterin compound ASUBIO PHARAM CO., LTD (JP) 2006-01-12 US claimed
US-20050197341-A1 Methods for treating pain GENERAL HOSPITAL CORPORATION, THE 2005-09-08 US claimed
WO-2005048926-A2 METHODS FOR TREATING PAIN THE GENERAL HOSPITAL CORPORATION (US) 2005-06-02 WO claimed
WO-2005049000-A2 TREATMENT OF PHENYLKETONURIAS WITH BH4 BIOMARIN PHARMACEUTICAL INC. (US) 2005-06-02 WO claimed
EP-1477165-A2 Blocking induction of tetrahydrobiopterin to block induction of nitric oxide synthesis Cornell Research Foundation, INC. (US) 2004-11-17 EP claimed
US-20040014167-A1 Process for producing biopterin DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2004-01-22 US claimed
CN-1449442-A Process for producing biopterins SUNTORY LTD (JP) 2003-10-15 CN claimed
EP-1314782-A1 PROCESS FOR PRODUCING BIOPTERINS SUNTORY LIMITED (JP) 2003-05-28 EP claimed
US-6274581-B1 Blocking induction of tetrahydrobiopterin to block induction of nitric oxide synthesis CORNELL RESEARCH FOUNDATION, INC. 2001-08-14 US claimed
US-5877176-A Blocking induction of tetrahydrobiopterin to block induction of nitric oxide synthesis CORNELL RESEARCH FOUNDATION, INC. (US) 1999-03-02 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-12584924-B2 Compositions and methods for diagnosing and treating chronic kidney disease GLS, AADAT, FGF23 HSD17B10 4795/4885CASP7 3918/4885KDM4E 124/4885
US-20050197341-A1 Methods for treating pain SPR, QDPR, SHMT1 HSD17B10 323/4885CASP7 3886/4885KDM4E 2785/4885
US-20250295658-A1 ANTIPARASITIC AGENTS AND METHODS DHFR, DHODH, MTHFD1 HSD17B10 1222/4885CASP7 558/4885KDM4E 3659/4885

“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.