SCHEMBL15528896

SCHEMBL15528896

CCOc1ccccc1-c1nc2c(C(=O)OC)cccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.61
PKN1 Q16512 1/20 0.58
PKN2 Q16513 1/20 0.58
PDE5A O76074 7/20 0.57
RIPK1 Q13546 2/20 0.52
CBFB Q13951 1/20 0.50
DHODH Q02127 1/20 0.49
GUSB P08236 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CDK1 P06493 1/20 0.47
KDR P35968 1/20 0.47
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46

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
SCHEMBL5618837 0.88 DHODH (0.64) PARP1PKN1PKN2PDE5ARIPK1
SCHEMBL16676652 0.88 PARP1 (0.57) PARP1PKN1PKN2PDE5ACBFB
SCHEMBL16674516 0.86 PARP1 (0.55) PARP1PKN1PKN2PDE5ACBFB
SCHEMBL1170810 0.81 PKN1 (0.77) PARP1PKN1PKN2RIPK1DHODH
SCHEMBL18255504 0.81 PKN1 (0.69) PARP1PKN1PKN2RIPK1DHODH
SCHEMBL5271761 0.80 RIPK1 (0.60) PARP1PKN1PKN2RIPK1KDM4E
SCHEMBL28935975 0.78 PKN1 (0.59) PARP1PKN1PKN2RIPK1DHODH
SCHEMBL7322715 0.78 PKN1 (0.81) PARP1PKN1PKN2DHODH
SCHEMBL10759799 0.77 PARP1 (0.58) PARP1PKN1PKN2RIPK1DHODH
SCHEMBL23796955 0.77 PKN1 (0.55) PARP1PKN1PKN2RIPK1DHODH

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2844345-B1 MODULATORS OF THE RELAXIN RECEPTOR 1 US HEALTH (US) 2022-08-03 EP disclosed
US-10125112-B2 Modulators of the relaxin receptor 1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-11-13 US disclosed
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE UNITED STATES OF AMERICA AS REPRESENTED BY SECRETARY DEPT OF HEALTH AND HUMAN SERVICE (US) 2017-05-25 US disclosed
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE UNITED STATES OF AMERICA AS REPRESENTED BY SECRETARY DEPT OF HEALTH AND HUMAN SERVICE (US) 2017-05-25 US disclosed
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE UNITED STATES OF AMERICA AS REPRESENTED BY SECRETARY DEPT OF HEALTH AND HUMAN SERVICE (US) 2017-05-25 US disclosed
US-9452973-B2 Modulators of the relaxin receptor 1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-09-27 US disclosed
US-9452973-B2 Modulators of the relaxin receptor 1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-09-27 US disclosed
US-9452973-B2 Modulators of the relaxin receptor 1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-09-27 US disclosed
US-20150119426-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES 2015-04-30 US disclosed
US-20150119426-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES 2015-04-30 US disclosed
US-20150119426-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES 2015-04-30 US disclosed
EP-2844345-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 The United States of America, as Represented by The Secretary, Department of Health and Human Services (US) 2015-03-11 EP disclosed
WO-2013165606-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-11-07 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 (3 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-20150119426-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 RXFP1, RXFP2, RXFP3 PARP1 3304/4885PKN1 1099/4885PKN2 2009/4885
US-10125112-B2 Modulators of the relaxin receptor 1 RXFP1, RXFP2, RXFP3 PARP1 3304/4885PKN1 1099/4885PKN2 2009/4885
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 RXFP1, RXFP2, RXFP3 PARP1 3304/4885PKN1 1099/4885PKN2 2009/4885

“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.