SCHEMBL2153169

SCHEMBL2153169

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.77
MEN1 O00255 1/20 0.77
ABL1 P00519 1/20 0.77
LMNA P02545 1/20 0.77
PKM P14618 1/20 0.77
IDE P14735 1/20 0.77
MAPK1 P28482 1/20 0.77
KMT2A Q03164 1/20 0.77
RIN1 Q13671 1/20 0.77
L3MBTL1 Q9Y468 1/20 0.77
FOLH1 Q04609 2/20 0.64
CA12 O43570 2/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA9 Q16790 2/20 0.61
PLCD1 P51178 1/20 0.61
CAPN1 P07384 2/20 0.59
HLCS P50747 2/20 0.58
ITGB1 P05556 1/20 0.58
ITGA4 P13612 1/20 0.58

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
SCHEMBL10171661 1.00 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL565479 1.00 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL383254 1.00 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL16913029 1.00 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL3143245 1.00 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL25417015 1.00 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL1270494 1.00 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL18257230 1.00 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL22975316 1.00 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL565248 1.00 TDP1 (0.77) 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 94 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385998-A1 BIOMOLECULE CHARACTERIZATION USING MASS SPECTROMETRY AND AFFINITY TAGS Ciphergen Biosystems, Inc. (US) 2004-02-04 EP claimed
US-20030077616-A1 Biomolecule characterization using mass spectrometry and affinity tags CIPHERGEN BIOSYSTEMS, INC. (US) 2003-04-24 US claimed
WO-2002086168-A1 BIOMOLECULE CHARACTERIZATION USING MASS SPECTROMETRY AND AFFINITY TAGS CIPHERGEN BIOSYSTEMS, INC. (US) 2002-10-31 WO claimed
WO-2024191684-A1 DETECTION OF HEPATITIS C VIRUS RIBONUCLEIC ACID FROM WHOLE BLOOD USING REVERSE TRANSCRIPTION LOOP-MEDIATED ISOTHERMAL AMPLIFICATION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-09-19 WO disclosed
CN-116381214-A Light-activated chemiluminescence detection kit, and use method and application thereof 科美博阳诊断技术(上海)有限公司 2023-07-04 CN disclosed
US-20220389478-A1 METHODS TO DETERMINE KDM1A TARGET ENGAGEMENT AND CHEMOPROBES USEFUL THEREFOR ORYZON GENOMICS SA (ES) 2022-12-08 US disclosed
WO-2022056078-A1 RNASE H-ASSISTED DETECTION ASSAY FOR RNA (RADAR) THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-03-17 WO disclosed
US-11034991-B2 Methods to determine KDM1A target engagement and chemoprobes useful therefor ORYZON GENOMICS S.A. (ES) 2021-06-15 US disclosed
US-20190085372-A1 METHODS TO DETERMINE KDM1A TARGET ENGAGEMENT AND CHEMOPROBES USEFUL THEREFOR ORYZON GENOMICS SA (ES) 2019-03-21 US disclosed
EP-3430015-A1 METHODS TO DETERMINE KDM1A TARGET ENGAGEMENT AND CHEMOPROBES USEFUL THEREFOR Oryzon Genomics, S.A. (ES) 2019-01-23 EP disclosed
US-10071990-B2 Site-specific orthogonal labeling of the carboxy terminus of α-tubulin in live cells THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2018-09-11 US disclosed
EP-0643706-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR BINDING BIO-AFFECTING SUBSTANCES TO SURFACE MEMBRANES OF BIO-PARTICLES Zynaxis Inc. (US) 1995-03-22 EP disclosed
EP-0643706-A4 COMPOUNDS, COMPOSITIONS AND METHODS FOR BINDING BIO-AFFECTING SUBSTANCES TO SURFACE MEMBRANES OF BIO-PARTICLES. ZYNAXIS INC (US) 1994-12-27 EP disclosed
EP-0618891-A1 METHOD FOR MAKING VALPROIC ACID DERIVATIVES BECKMAN INSTRUMENTS, INC. (US) 1994-10-12 EP disclosed
US-5326692-A Polyazaindacene dyes MOLECULAR PROBES, INC. (US) 1994-07-05 US disclosed
EP-0596098-A1 FLUORESCENT MICROPARTICLES WITH CONTROLLABLE ENHANCED STOKES SHIFT MOLECULAR PROBES, INC. (US) 1994-05-11 EP disclosed
US-5306824-A Enzyme inhibitors; purifying proteins GEORGIA TECH RESEARCH CORPORATION (US) 1994-04-26 US disclosed
WO-1994006745-A1 METHOD FOR MAKING VALPROIC ACID DERIVATIVES BECKMAN INSTRUMENTS, INC. (US) 1994-03-31 WO disclosed
WO-1993023492-A1 FLUORESCENT MICROPARTICLES WITH CONTROLLABLE ENHANCED STOKES SHIFT MOLECULAR PROBES, INC. (US) 1993-11-25 WO disclosed
WO-1993011120-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR BINDING BIO-AFFECTING SUBSTANCES TO SURFACE MEMBRANES OF BIO-PARTICLES ZYNAXIS TECHNOLOGIES, INCORPORATED (US) 1993-06-10 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 (4 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-20220389478-A1 METHODS TO DETERMINE KDM1A TARGET ENGAGEMENT AND CHEMOPROBES USEFUL THEREFOR KDM1B, KDM1A, KDM7A TDP1 1918/4885MEN1 2238/4885ABL1 1425/4885
US-10071990-B2 Site-specific orthogonal labeling of the carboxy terminus of α-tubulin in live cells TUBB, TUBA1C, TUBB1 TDP1 396/4885MEN1 4243/4885ABL1 659/4885
US-20190085372-A1 METHODS TO DETERMINE KDM1A TARGET ENGAGEMENT AND CHEMOPROBES USEFUL THEREFOR KDM1B, KDM1A, KDM7A TDP1 1918/4885MEN1 2238/4885ABL1 1425/4885
US-11034991-B2 Methods to determine KDM1A target engagement and chemoprobes useful therefor KDM1B, KDM1A, KDM7A TDP1 1918/4885MEN1 2238/4885ABL1 1425/4885

“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.