SCHEMBL15528518

SCHEMBL15528518

O=C(Nc1ccccc1Br)c1ccccc1NC(=O)C1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
LMNA P02545 1/20 0.67
RXFP1 Q9HBX9 12/20 0.61
NPC1 O15118 1/20 0.60
F2R P25116 1/20 0.60
KDM4E B2RXH2 1/20 0.59
HPGD P15428 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HSD17B10 Q99714 1/20 0.59
RXFP2 Q8WXD0 1/20 0.58
CETP P11597 1/20 0.56
HDAC3 O15379 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56

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
SCHEMBL14855799 0.86 ALDH1A1 (0.70) ALDH1A1LMNARXFP1KDM4EHPGD
SCHEMBL15528386 0.84 RXFP1 (0.72) ALDH1A1LMNARXFP1F2RKDM4E
SCHEMBL15528617 0.84 ALDH1A1 (0.71) ALDH1A1LMNARXFP1KDM4EHPGD
SCHEMBL16669873 0.84 ALDH1A1 (0.67) ALDH1A1LMNARXFP1KDM4EHPGD
SCHEMBL15528295 0.83 RXFP1 (0.75) ALDH1A1LMNARXFP1KDM4EHPGD
SCHEMBL28669892 0.82 NPC1 (0.63) ALDH1A1LMNANPC1KDM4EHPGD
SCHEMBL15528420 0.81 RXFP1 (0.72) ALDH1A1LMNARXFP1F2RRXFP2
SCHEMBL11732563 0.80 ALDH1A1 (0.68) ALDH1A1LMNARXFP1KDM4EHPGD
SCHEMBL7814976 0.80 ALDH1A1 (0.68) ALDH1A1LMNARXFP1KDM4EHPGD
SCHEMBL15528507 0.80 RXFP1 (0.67) ALDH1A1LMNARXFP1KDM4EHPGD

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 10 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-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
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 ALDH1A1 2561/4885LMNA 2143/4885RXFP1 1/4885
US-10125112-B2 Modulators of the relaxin receptor 1 RXFP1, RXFP2, RXFP3 ALDH1A1 2561/4885LMNA 2143/4885RXFP1 1/4885
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 RXFP1, RXFP2, RXFP3 ALDH1A1 2561/4885LMNA 2143/4885RXFP1 1/4885

“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.