SCHEMBL230712

SCHEMBL230712

Nc1nc2c(c(=O)[nH]1)N=C(CO)CN2

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP7 P55210 2/20 0.54
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
RGS12 O14924 1/20 0.54
LMNA P02545 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPT P10636 1/20 0.54
CASP1 P29466 1/20 0.54
BLM P54132 1/20 0.54
GNAI1 P63096 1/20 0.54
KMT2A Q03164 1/20 0.54
HIF1A Q16665 1/20 0.54
NOS1 P29475 7/20 0.39
DHFR P00374 5/20 0.39
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
USP2 O75604 1/20 0.34
PAH P00439 1/20 0.34

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
SCHEMBL25433714 0.93 CASP7 (0.49) CASP7HSD17B10KDM4EMEN1RGS12
Pyrophosphoric Acid SCHEMBL2935409 0.90 KDM4E (0.49) CASP7HSD17B10KDM4EMEN1RGS12
SCHEMBL9152033 0.82 CASP7 (0.52) CASP7HSD17B10KDM4EMEN1RGS12
SCHEMBL26500536 0.81 CASP7 (0.51) CASP7HSD17B10KDM4EMEN1RGS12
SCHEMBL26499414 0.81 CASP7 (0.57) CASP7HSD17B10KDM4EMEN1RGS12
SCHEMBL7077068 0.80 CASP7 (0.58) CASP7HSD17B10KDM4EMEN1RGS12
SCHEMBL26499707 0.78 MAPT (0.54) CASP7HSD17B10KDM4EMEN1RGS12
SCHEMBL7362054 0.76 CASP7 (0.58) CASP7HSD17B10KDM4EMEN1RGS12
SCHEMBL16564277 0.76 CASP7 (0.62) CASP7HSD17B10KDM4EMEN1RGS12
SCHEMBL3721701 0.76 KDM4E (0.46) CASP7HSD17B10KDM4EMEN1RGS12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112707921-A Synthesis of fluorescence label of enzyme inhibitor 南京碳硅人工智能生物医药技术研究院有限公司 2021-04-27 CN claimed
EP-2084519-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING Los Alamos National Security, LLC (US) 2009-08-05 EP claimed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 WO claimed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US claimed
US-20060088900-A1 Method for determining inhibition activity of a compound on one of the enzymes of the folate synthesis pathway AVENTIS PHARMA S.A. (FR) 2006-04-27 US claimed
EP-1414993-A2 SCREENING-METHOD FOR INHIBITORS OF FOLATE-SYNTHESIS-PATHWAY ENZYMES Aventis Pharma S.A. (FR) 2004-05-06 EP claimed
WO-2003012132-A2 SCREENING METHOD FOR INHIBITORS OF FOLATE SYNTHESIS PATHWAY ENZYMES AVENTIS PHARMA S.A. (FR) 2003-02-13 WO claimed
EP-1281769-A1 Screening-method for inhibitors of folate-synthesis-pathway enzymes Aventis Pharma S.A. (FR) 2003-02-05 EP claimed
US-12421187-B2 Dihydrofolate synthase (DHFS) inhibiting agents and methods of making and using same WASHINGTON UNIVERISTY (US) 2025-09-23 US disclosed
US-20230322667-A1 DIHYDROFOLATE SYNTHASE (DHFS) INHIBITING AGENTS AND METHODS OF MAKING AND USING SAME WASHINGTON UNIVERSITY (US) 2023-10-12 US disclosed
US-20230272442-A1 5-METHYLFOLATE PRODUCING MICROORGANISM CHIFENG PHARMACEUTICAL CO., LTD. (CN) 2023-08-31 US disclosed
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
CN-116096881-A Microorganism producing 5-methyl folate 赤峰制药股份有限公司 2023-05-09 CN disclosed
US-11618912-B2 Microorganisms and methods for producing sialylated and n-acetylglucosamine-containing oligosaccharides Glycosyn LLC (US) 2023-04-04 US disclosed
WO-2000046405-A9 METHODS FOR IDENTIFYING DRUG TARGETS BASED ON GENOMIC SEQUENCE DATA PALSSON BERNHARD (US) 2001-09-07 WO disclosed
EP-1112382-A2 ESSENTIAL GENES FROM C. ALBICANS AND A METHOD FOR SCREENING ANTIMYCOTIC SUBSTANCES USING SAID GENES Aventis Pharma S.A. (FR) 2001-07-04 EP disclosed
EP-1059354-A2 Sequence-determined DNA fragments and corresponding polypeptides encoded thereby Ceres Incorporated (US) 2000-12-13 EP disclosed
EP-1033405-A2 Sequence-determined DNA fragments and corresponding polypeptides encoded thereby Ceres Incorporated (US) 2000-09-06 EP disclosed
EP-0999284-A1 Method for screening antimycotic substances using essential genes from c.albicans, and said genes HOECHST MARION ROUSSEL (FR) 2000-05-10 EP disclosed
WO-2000015838-A2 ESSENTIAL GENES FROM C. ALBICANS AND A METHOD FOR SCREENING ANTIMYCOTIC SUBSTANCES USING SAID GENES AVENTIS PHARMA S.A. (FR) 2000-03-23 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 (2 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-20230322667-A1 DIHYDROFOLATE SYNTHASE (DHFS) INHIBITING AGENTS AND METHODS OF MAKING AND USING SAME DHFR, DHPS, MTHFD1 CASP7 3180/4885HSD17B10 261/4885KDM4E 2117/4885
US-12421187-B2 Dihydrofolate synthase (DHFS) inhibiting agents and methods of making and using same DHFR, DHPS, MTHFD1 CASP7 3180/4885HSD17B10 261/4885KDM4E 2117/4885

“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.