SCHEMBL351791

SCHEMBL351791

COC(=O)c1ccc(C(C#N)C(N)=O)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.50
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PKM P14618 1/20 0.43
LMNA P02545 1/20 0.42
PDK1 Q15118 1/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 2/20 0.41
AR P10275 1/20 0.40
PELP1 Q8IZL8 1/20 0.40

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
SCHEMBL13613558 0.89 VCAM1 (0.40) VCAM1KMT2AALDH1A1HPGDNPSR1
SCHEMBL13152525 0.88 VCAM1 (0.39) VCAM1KMT2AALDH1A1HPGDNPSR1
SCHEMBL3118623 0.85 KMT2A (0.49) VCAM1KMT2AALDH1A1HPGDNPSR1
SCHEMBL28072772 0.81 VCAM1 (0.53) VCAM1KMT2AALDH1A1HPGDNPSR1
SCHEMBL15139324 0.81 ALDH1A1 (0.41) KMT2AALDH1A1HPGDNPSR1LMNA
SCHEMBL3836060 0.81 TSHR (0.46) KMT2AALDH1A1LMNAPDK1MAPT
SCHEMBL3214507 0.81 KDM4E (0.51) ALDH1A1HPGDNPSR1PKMLMNA
SCHEMBL17204265 0.80 MAPT (0.47) VCAM1KMT2AALDH1A1HPGDNPSR1
SCHEMBL8474404 0.79 PDK1 (0.65) VCAM1KMT2AALDH1A1HPGDNPSR1
SCHEMBL3207172 0.78 S100A4 (0.37) KMT2AALDH1A1PKMLMNAPDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107208111-B Compounds and methods for enhancing viral gene transfer to human hematopoietic cells 蒙特利尔大学 2021-07-06 CN disclosed
EP-3194602-B1 COMPOUNDS AND METHODS FOR ENHANCING VIRAL GENE TRANSFER TO HUMAN HEMATOPOIETIC CELLS UNIV MONTREAL (CA) 2019-11-06 EP disclosed
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-10273503-B2 Compounds and methods for enhancing viral gene transfer to human hematopoietic cells UNIVERSITE DE MONTREAL (CA) 2019-04-30 US disclosed
US-20180201953-A1 COMPOUNDS AND METHODS FOR ENHANCING VIRAL GENE TRANSFER TO HUMAN HEMATOPOIETIC CELLS Université de Montréal (CA) 2018-07-19 US 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
EP-3194602-A1 COMPOUNDS AND METHODS FOR ENHANCING VIRAL GENE TRANSFER TO HUMAN HEMATOPOIETIC CELLS Université de Montréal (CA) 2017-07-26 EP 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-8329907-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2012-12-11 US disclosed
US-8193237-B2 Indole derivative having IκB kinase β inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US disclosed
US-8193237-B2 Indole derivative having IκB kinase β inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US disclosed
EP-2414346-A1 AUTOTAXIN INHIBITORS Merck Patent GmbH (DE) 2012-02-08 EP disclosed
US-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 US disclosed
US-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 US disclosed
WO-2010112124-A1 AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2010-10-07 WO disclosed
US-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
US-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
EP-2119703-A1 NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE Santen Pharmaceutical Co., Ltd (JP) 2009-11-18 EP 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 (7 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-10273503-B2 Compounds and methods for enhancing viral gene transfer to human hematopoietic cells HCLS1, INMT, IDO1 VCAM1 1205/4885KMT2A 730/4885ALDH1A1 165/4885
US-20120015976-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 VCAM1 1389/4885KMT2A 1523/4885ALDH1A1 4088/4885
US-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY NFKBIA, IKBKB, IKBKG VCAM1 2238/4885KMT2A 823/4885ALDH1A1 3077/4885
US-20180201953-A1 COMPOUNDS AND METHODS FOR ENHANCING VIRAL GENE TRANSFER TO HUMAN HEMATOPOIETIC CELLS HCLS1, INMT, IDO1 VCAM1 1205/4885KMT2A 730/4885ALDH1A1 165/4885
US-20160222017-A1 PYRIMIDO[4,5-B]INDOLE DERIVATIVES AND USE THEREOF IN THE EXPANSION OF HEMATOPOIETIC STEM CELLS IDO1, IDO2, INMT VCAM1 3084/4885KMT2A 772/4885ALDH1A1 47/4885
US-10336747-B2 Pyrimido[4,5-B]indole derivatives and use thereof in the expansion of hematopoietic stem cells IDO1, IDO2, INMT VCAM1 3084/4885KMT2A 772/4885ALDH1A1 47/4885
US-20170334904-A1 PYRIMIDO[4,5-B]INDOLE DERIVATIVES AND USE THEREOF IN THE EXPANSION OF HEMATOPOIETIC STEM CELLS IDO1, IDO2, INMT VCAM1 3084/4885KMT2A 772/4885ALDH1A1 47/4885

“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.