SCHEMBL9058595

SCHEMBL9058595

CNc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 13/20 1.00
PRMT1 Q99873 2/20 1.00
DNMT3B Q9UBC3 7/20 0.79
DNMT1 P26358 6/20 0.77
CARM1 Q86X55 2/20 0.77
EHMT2 Q96KQ7 2/20 0.77
TRDMT1 O14717 1/20 0.77
PRMT5 O14744 1/20 0.77
SUV39H1 O43463 1/20 0.77
PRMT3 O60678 1/20 0.77
INMT O95050 1/20 0.77
NSD2 O96028 1/20 0.77
PNMT P11086 1/20 0.77
NNMT P40261 1/20 0.77
HNMT P50135 1/20 0.77
WDR5 P61964 1/20 0.77
KMT2A Q03164 1/20 0.77
SETDB1 Q15047 1/20 0.77
RBBP5 Q15291 1/20 0.77
EZH2 Q15910 1/20 0.77

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
SCHEMBL14191440 1.00 DOT1L (1.00) DOT1LPRMT1DNMT3BDNMT1CARM1
SCHEMBL14174642 1.00 DOT1L (1.00) DOT1LPRMT1DNMT3BDNMT1CARM1
SCHEMBL14191355 0.91 DOT1L (0.85) DOT1LPRMT1DNMT3BDNMT1CARM1
SCHEMBL14174645 0.91 DOT1L (0.85) DOT1LPRMT1DNMT3BDNMT1CARM1
SCHEMBL14174641 0.88 DOT1L (1.00) DOT1LPRMT1DNMT3BDNMT1CARM1
SCHEMBL18272513 0.88 DOT1L (0.81) DOT1LPRMT1DNMT3BDNMT1CARM1
SCHEMBL30979354 0.88 DOT1L (0.84) DOT1LPRMT1DNMT3BDNMT1CARM1
SCHEMBL30225596 0.88 DNMT3B (1.00) DOT1LPRMT1DNMT3BDNMT1CARM1
SCHEMBL17309752 0.88 DNMT3B (1.00) DOT1LPRMT1DNMT3BDNMT1CARM1
SCHEMBL14174638 0.88 DNMT3B (1.00) DOT1LPRMT1DNMT3BDNMT1CARM1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996020010-A1 COMBINATION FOR REDUCING ANTIMICROBIAL RESISTANCE USING A METHYLATION INHIBITOR IN COMBINATION WITH AN ANTIBIOTIC ORIDIGM CORPORATION (US) 1996-07-04 WO claimed
EP-4746922-A2 INTERLEUKIN-13 RECEPTOR SUBUNIT ALPHA-2 ANTIBODY-DRUG CONJUGATES AND USES THEREOF Exelixis, Inc. (US) 2026-05-27 EP disclosed
WO-2025019776-A2 INTERLEUKIN-13 RECEPTOR SUBUNIT ALPHA-2 ANTIBODY-DRUG CONJUGATES AND USES THEREOF EXELIXIS, INC. (US) 2025-01-23 WO disclosed
CN-118853707-A Sichuan orange methyl esterase CmMES1.1 and CmMES1.5 genes and application thereof 湖北省农业科学院果树茶叶研究所 2024-10-29 CN disclosed
EP-4146809-A1 LARGE SCALE PRODUCTION OF OLIVETOL, OLIVETOLIC ACID AND OTHER ALKYL RESORCINOLS BY FERMENTATION Lygos, Inc. (US) 2023-03-15 EP disclosed
EP-4021431-A1 TREATMENT OR PREVENTION OF LEUKAEMIA Vestlandets Innovasjonsselskap AS (NO) 2022-07-06 EP disclosed
WO-2022094148-A1 CONJUGATION REAGENTS AND METHODS USING 1,2-CYCLOHEXANEDIONES Encodia, Inc. (US) 2022-05-05 WO disclosed
US-20200239921-A1 CHEMOENZYMATIC SYNTHESIS OF S-NUCLEOSYL AMINO ACIDS (SNA), ANALOGS OF S-ADENOSYL-L-METHIONINE AND S-ADENOSYL-L- HOMOCYSTEINE AND USES THEREOF ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2020-07-30 US disclosed
US-20140100184-A1 SELECTIVE INHIBITORS OF HISTONE METHYLTRANSFERASE DOT1L BAYLOR COLLEGE OF MEDICINE (US) 2014-04-10 US disclosed
WO-1996020010-A1 COMBINATION FOR REDUCING ANTIMICROBIAL RESISTANCE USING A METHYLATION INHIBITOR IN COMBINATION WITH AN ANTIBIOTIC ORIDIGM CORPORATION (US) 1996-07-04 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 (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-20200239921-A1 CHEMOENZYMATIC SYNTHESIS OF S-NUCLEOSYL AMINO ACIDS (SNA), ANALOGS OF S-ADENOSYL-L-METHIONINE AND S-ADENOSYL-L- HOMOCYSTEINE AND USES THEREOF SHMT1, BHMT2, AHCY DOT1L 1010/4885PRMT1 617/4885DNMT3B 402/4885
US-20140100184-A1 SELECTIVE INHIBITORS OF HISTONE METHYLTRANSFERASE DOT1L CARM1, DOT1L, PRMT1 DOT1L 2/4885PRMT1 3/4885DNMT3B 41/4885

“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.