SCHEMBL5903676

SCHEMBL5903676

CNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.73
▸ MEN1 O00255 1/20 0.71
▸ ABL1 P00519 1/20 0.71
▸ LMNA P02545 1/20 0.71
▸ PKM P14618 1/20 0.71
▸ IDE P14735 1/20 0.71
▸ MAPK1 P28482 1/20 0.71
▸ KMT2A Q03164 1/20 0.71
▸ RIN1 Q13671 1/20 0.71
▸ L3MBTL1 Q9Y468 1/20 0.71
▸ HLCS P50747 6/20 0.64
▸ CA12 O43570 6/20 0.60
▸ CA1 P00915 6/20 0.60
▸ CA2 P00918 6/20 0.60
▸ CA9 Q16790 6/20 0.60
▸ F2 P00734 1/20 0.53
▸ PRSS1 P07477 1/20 0.53
▸ PRSS2 P07478 1/20 0.53
▸ PRSS3 P35030 1/20 0.53
▸ TPSAB1 Q15661 1/20 0.53

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
SCHEMBL13899174 1.00 TDP1 (0.73) TDP1MEN1ABL1LMNAPKM
SCHEMBL4757050 1.00 TDP1 (0.73) TDP1MEN1ABL1LMNAPKM
SCHEMBL13274150 1.00 TDP1 (0.73) TDP1MEN1ABL1LMNAPKM
SCHEMBL8165184 1.00 TDP1 (0.73) TDP1MEN1ABL1LMNAPKM
SCHEMBL13524253 1.00 TDP1 (0.73) TDP1MEN1ABL1LMNAPKM
SCHEMBL10171679 1.00 TDP1 (0.73) TDP1MEN1ABL1LMNAPKM
SCHEMBL12238074 1.00 TDP1 (0.73) TDP1MEN1ABL1LMNAPKM
SCHEMBL24653263 0.99 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM
SCHEMBL15130533 0.96 TDP1 (0.67) TDP1MEN1ABL1LMNAPKM
SCHEMBL26902859 0.93 TDP1 (0.69) TDP1MEN1ABL1LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236082-B2 EZH2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-01 — — US disclosed
EP-3885343-A1 INDOLE COMPOUNDS AS EZH2 INHIBITORS AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2021-09-29 — — EP disclosed
WO-2020185610-A1 NEW TECHNOLOGY TO CONJUGATE THE TACCALONOLIDE MICROTUBULE STABILIZERS WITH LINKERS/PAYLOADS DU LIN (US) 2020-09-17 — — WO disclosed
US-10765681-B2 Purine compounds possessing anticancer activity ACADEMIA SINICA (TW) 2020-09-08 — — US disclosed
US-10633371-B2 EZH2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-28 — — US disclosed
US-20200039968-A9 EZH2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-02-06 — — US disclosed
WO-2019154306-A1 SACCHARIDE DERIVATIVES FOR IMMUNE CELL SURFACE MODIFICATION AND USE THEREOF 厦门诺康得生物科技有限公司 2019-08-15 — — WO disclosed
WO-2019136442-A1 CD16A BINDING AGENTS AND USES THEREOF KLEO PHARMACEUTICALS, INC. (US) 2019-07-11 — — WO disclosed
US-20190135796-A1 EZH2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-05-09 — — US disclosed
US-10202400-B2 Cortistatin analogues and syntheses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-02-12 — — US disclosed
US-8389223-B2 Probes for anionic cell surface detection UNIVERSITY OF NOTRE DAME DU LAC (US) 2013-03-05 — — US disclosed
US-20110262991-A1 Living Copolymer-Protein/Peptide Hybrids for Biomedical Applications THE RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK 2011-10-27 — — US disclosed
US-20100331542-A1 PROBES FOR ANIONIC CELL SURFACE DETECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2010-12-30 — — US disclosed
US-20100331542-A1 PROBES FOR ANIONIC CELL SURFACE DETECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2010-12-30 — — US disclosed
WO-2010108058-A2 SMALL MOLECULE INHIBITORS OF DUSP6 AND USES THEREFOR UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-09-23 — — WO disclosed
US-20080171351-A1 PROBES FOR ANIONIC CELL SURFACE DETECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2008-07-17 — — US disclosed
US-20080171351-A1 PROBES FOR ANIONIC CELL SURFACE DETECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2008-07-17 — — US disclosed
US-7141676-B1 Water soluble multi-biotin-containing compounds UNIVERSITY OF WASHINGTON (US) 2006-11-28 — — US disclosed
US-20060228325-A1 Water soluble multi-biotin-containing compounds WILBUR D S 2006-10-12 — — US disclosed
WO-2006044063-A2 TRANSEPITHELIAL DELIVERY OF PEPTIDES WITH INCRETIN HORMONE ACTIVITIES NITTO DENKO CORPORATION (JP) 2006-04-27 — — 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 (8 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-20190135796-A1 EZH2 INHIBITORS AND USES THEREOF EZH2, EZH1, BMI1 TDP1 2354/4885MEN1 1551/4885ABL1 375/4885
US-20200039968-A9 EZH2 INHIBITORS AND USES THEREOF EZH2, EZH1, BMI1 TDP1 2354/4885MEN1 1551/4885ABL1 375/4885
US-10202400-B2 Cortistatin analogues and syntheses thereof CTTN, TEK, FLT1 TDP1 4363/4885MEN1 110/4885ABL1 1123/4885
US-20060228325-A1 Water soluble multi-biotin-containing compounds BTD, HLCS, VNN1 TDP1 2706/4885MEN1 3462/4885ABL1 4752/4885
US-20100331542-A1 PROBES FOR ANIONIC CELL SURFACE DETECTION ANXA5, ANXA6, ANXA3 TDP1 2117/4885MEN1 2512/4885ABL1 992/4885
US-10765681-B2 Purine compounds possessing anticancer activity NTPCR, PNP, NUDT1 TDP1 141/4885MEN1 1587/4885ABL1 1367/4885
US-10633371-B2 EZH2 inhibitors and uses thereof EZH2, EZH1, BMI1 TDP1 2354/4885MEN1 1551/4885ABL1 375/4885
US-11236082-B2 EZH2 inhibitors and uses thereof EZH2, EZH1, BMI1 TDP1 2226/4885MEN1 1860/4885ABL1 287/4885

“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.

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