SCHEMBL3143245

SCHEMBL3143245

O=C(O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21

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
SCHEMBL2153169 1.00 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL383254 1.00 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL18257230 1.00 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL12551857 1.00 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL565479 1.00 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL16913029 1.00 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL25417015 1.00 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL10171661 1.00 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL565248 1.00 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL22975316 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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2807154-B1 AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2015-12-23 — — EP claimed
US-20150005294-A1 AZAHETEROCYCLIC COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-01-01 — — US claimed
EP-2807154-A1 AZAHETEROCYCLIC COMPOUNDS Merck Patent GmbH (DE) 2014-12-03 — — EP claimed
WO-2013110433-A1 AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2013-08-01 — — WO claimed
EP-1864983-A1 PYRIMIDINE COMPOUNDS AS CYCLIN-DEPENDENT KINASE INHIBITORS Cyclacel Limited (GB) 2007-12-12 — — EP claimed
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 — — EP disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 — — US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 — — US disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 — — US disclosed
US-20200278346-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ADJACENT ACQUISITION CO., LLC 2020-09-03 — — US disclosed
EP-3681504-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE Icagen, Inc. (US) 2020-07-22 — — EP disclosed
US-10413621-B2 Composition and methods for imaging cells CASE WESTERN RESERVE UNIVERSITY (US) 2019-09-17 — — US disclosed
US-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions SUBASINGHE NALIN 2005-10-20 — — US disclosed
US-20050192300-A1 Pyrimidine compounds CYCLACEL LIMITED (GB) 2005-09-01 — — US disclosed
EP-1567522-A1 PYRIMIDINE COMPOUNDS Cyclacel Limited (GB) 2005-08-31 — — EP disclosed
WO-2005067644-A2 CONJUGATED SMALL MOLECULES AMBIT BIOSCIENCES CORPORATION (US) 2005-07-28 — — WO disclosed
US-20050153371-A1 Conjugated small molecules AMBIT BIOSCIENCES CORPORATION 2005-07-14 — — US disclosed
EP-1549632-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-07-06 — — EP disclosed
WO-2004043953-A1 PYRIMIDINE COMPOUNDS CYCLACEL LIMITED (GB) 2004-05-27 — — WO disclosed
WO-2003099805-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-12-04 — — 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 (5 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-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R TDP1 4176/4885MEN1 1309/4885ABL1 839/4885
US-20150005294-A1 AZAHETEROCYCLIC COMPOUNDS PCNA, CDKN1A, CCNC TDP1 1163/4885MEN1 1129/4885ABL1 835/4885
US-10413621-B2 Composition and methods for imaging cells MCL1, TP53, HNRNPAB TDP1 3017/4885MEN1 413/4885ABL1 2926/4885
US-20050153371-A1 Conjugated small molecules ERBB2, ALK, ACP1 TDP1 3880/4885MEN1 4141/4885ABL1 12/4885
US-20050192300-A1 Pyrimidine compounds CDK2, CCNI, CDK6 TDP1 324/4885MEN1 3957/4885ABL1 230/4885

“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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