SCHEMBL625200

SCHEMBL625200

O=C1N[C@H]2[C@H](CS[C@H]2CCCC(C(=O)O)N2C(=O)CCC2=O)N1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.57
MEN1 O00255 1/20 0.57
ABL1 P00519 1/20 0.57
LMNA P02545 1/20 0.57
PKM P14618 1/20 0.57
IDE P14735 1/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 1/20 0.57
RIN1 Q13671 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HLCS P50747 6/20 0.53
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 4/20 0.41
FOLH1 Q04609 2/20 0.41

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
SCHEMBL23124403 1.00 TDP1 (0.57) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL29531755 0.94 TDP1 (0.69) TDP1MEN1ABL1LMNAPKM
SCHEMBL3648687 0.90 TDP1 (0.53) TDP1MEN1ABL1LMNAPKM
SCHEMBL8597261 0.88 TDP1 (0.51) TDP1MEN1ABL1LMNAPKM
SCHEMBL2232070 0.87 TDP1 (0.56) TDP1MEN1ABL1LMNAPKM
SCHEMBL7906513 0.87 TDP1 (0.72) TDP1MEN1ABL1LMNAPKM
SCHEMBL20537346 0.86 TDP1 (0.70) TDP1MEN1ABL1LMNAPKM
SCHEMBL28653646 0.86 TDP1 (0.70) TDP1MEN1ABL1LMNAPKM
SCHEMBL25305424 0.86 TDP1 (0.70) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL15104961 0.85 TDP1 (0.68) 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 149 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336747-B2 Pyrimido[4,5-B]indole derivatives and use thereof in the expansion of hematopoietic stem cells Université de Montréal 2019-07-02 US disclosed
EP-2807165-B1 PYRIMIDO[4,5-B]INDOLE DERIVATIVES AND USE THEREOF IN THE EXPANSION OF HEMATOPOIETIC STEM CELLS UNIV MONTREAL (CA) 2019-05-15 EP disclosed
US-10172905-B1 Treatment of protein degradation disorders PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-01-08 US disclosed
EP-3354265-A1 TREATMENT OF SOLID TUMORS President and Fellows of Harvard College (US) 2018-08-01 EP disclosed
EP-3338807-A1 TARGETING CONSTRUCT FOR GAS-FILLED MICROVESICLES Bracco Suisse SA (CH) 2018-06-27 EP disclosed
EP-2491926-B1 Treatment of protein degradation disorders HARVARD COLLEGE (US) 2018-05-09 EP disclosed
US-20170334904-A1 PYRIMIDO[4,5-B]INDOLE DERIVATIVES AND USE THEREOF IN THE EXPANSION OF HEMATOPOIETIC STEM CELLS Université de Montréal (CA) 2017-11-23 US disclosed
US-9572854-B2 Treatment of protein degradation disorders PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-02-21 US disclosed
US-9409906-B2 Pyrimido[4,5-B]indole derivatives and use thereof in the expansion of hematopoietic stem cells UNIVERSITE DE MONTREAL (CA) 2016-08-09 US disclosed
US-20160222017-A1 PYRIMIDO[4,5-B]INDOLE DERIVATIVES AND USE THEREOF IN THE EXPANSION OF HEMATOPOIETIC STEM CELLS Université de Montréal (CA) 2016-08-04 US disclosed
US-5432288-A Useful in effecting calcium efflux in tissue INDIANA UNIVERSITY FOUNDATION (US) 1995-07-11 US disclosed
WO-1994017447-A1 CHEMICAL FUNCTIONALIZATION OF SURFACES THE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 1994-08-04 WO disclosed
EP-0590563-A1 Biotin amides, a process for their preparation and therapeutical compositions containing them as the active principles for the treatment of diabetes and relative complicating diseases LIFEGROUP S.p.A. (IT) 1994-04-06 EP disclosed
US-5280015-A 2-substituted adenosines and 2-substituted adenosine 5'-carboxamides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-01-18 US disclosed
WO-1992018499-A1 NOVEL ESTER DERIVATIVES OF RYANODINE AND DEHYDRORYANODINE INDIANA UNIVERSITY FOUNDATION (US) 1992-10-29 WO disclosed
US-5059421-A Stable protein-liposome conjugate exhibiting an absence of aggregation THE LIPOSOME COMPANY, INC. (US) 1991-10-22 US disclosed
WO-1991000289-A2 TARGETED LIPOSOMES AND METHODS FOR LIPOSOME-PROTEIN COUPLING THE LIPOSOME COMPANY, INC. (US) 1991-01-10 WO disclosed
EP-0396692-A1 A METHOD OF ASSAYING AN ENZYME AND KIT AND SUBSTANCES SUITABLE FOR THAT METHOD Nederlandse Organisatie voor toegepast-natuurwetenschappelijk onderzoek TNO (NL) 1990-11-14 EP disclosed
WO-1990005309-A1 A METHOD OF ASSAYING AN ENZYME AND KIT AND SUBSTANCES SUITABLE FOR THAT METHOD NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 1990-05-17 WO disclosed
WO-1989009835-A1 LIGASE-BASED AMPLIFICATION METHOD THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1989-10-19 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-10172905-B1 Treatment of protein degradation disorders HDAC6, HDAC5, AADAC TDP1 404/4885MEN1 3426/4885ABL1 1273/4885
US-20160222017-A1 PYRIMIDO[4,5-B]INDOLE DERIVATIVES AND USE THEREOF IN THE EXPANSION OF HEMATOPOIETIC STEM CELLS IDO1, IDO2, INMT TDP1 2505/4885MEN1 3036/4885ABL1 36/4885
US-10336747-B2 Pyrimido[4,5-B]indole derivatives and use thereof in the expansion of hematopoietic stem cells IDO1, IDO2, INMT TDP1 2505/4885MEN1 3036/4885ABL1 36/4885
US-20170334904-A1 PYRIMIDO[4,5-B]INDOLE DERIVATIVES AND USE THEREOF IN THE EXPANSION OF HEMATOPOIETIC STEM CELLS IDO1, IDO2, INMT TDP1 2505/4885MEN1 3036/4885ABL1 36/4885

“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.