SCHEMBL5532447

SCHEMBL5532447

Cc1ccc2c(c1)c1cc(Br)ccc1n2C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.47
BCHE P06276 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NR1I2 O75469 1/20 0.44
AHR P35869 1/20 0.44
MAPT P10636 6/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 2/20 0.43
MCL1 Q07820 2/20 0.43
RAB9A P51151 2/20 0.43
APAF1 O14727 1/20 0.43
PKM P14618 1/20 0.43
IDO1 P14902 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.41
DNM1 Q05193 4/20 0.40
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL1921514 0.89 MAPT (0.46) ACHEBCHEMEN1KMT2AMAPT
SCHEMBL793546 0.87 BCHE (0.56) ACHEBCHEMEN1KMT2ANR1I2
SCHEMBL9979912 0.85 MAPT (0.43) ACHEBCHEMEN1KMT2AMAPT
SCHEMBL6940359 0.83 BCHE (0.53) ACHEBCHEMEN1KMT2ANR1I2
SCHEMBL4251581 0.81 DNM1 (0.39) MAPTKDM4EMAPK1HTTALDH1A1
SCHEMBL1923381 0.80 GPR3 (0.64) ACHEBCHEMEN1KMT2AMAPT
SCHEMBL13374193 0.80 ALDH1A1 (0.41) ACHEBCHEMEN1KMT2ANR1I2
SCHEMBL2721451 0.79 ALDH1A1 (0.41) MAPTKDM4EMAPK1IDO1ALDH1A1
SCHEMBL14845769 0.79 ALDH1A1 (0.41) MAPTKDM4EMAPK1HTTALDH1A1
SCHEMBL19114130 0.79 MAPT (0.47) MEN1KMT2AMAPTKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190135809-A1 Pro-Neurogenic Compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-05-09 US disclosed
US-20190135809-A1 Pro-Neurogenic Compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-05-09 US disclosed
US-20170305906-A1 Pro-Neurogenic Compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-10-26 US disclosed
US-20170305906-A1 Pro-Neurogenic Compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-10-26 US disclosed
US-20170305906-A1 Pro-Neurogenic Compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-10-26 US disclosed
US-9701676-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-07-11 US disclosed
US-9701676-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-07-11 US disclosed
US-9701676-B2 Pro-neurogenic compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-07-11 US disclosed
EP-2887803-A1 PRO-NEUROGENIC COMPOUNDS Board of Regents of the University of Texas System (US) 2015-07-01 EP disclosed
US-20140057900-A1 Pro-Neurogenic Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-02-27 US disclosed
US-20140057900-A1 Pro-Neurogenic Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-02-27 US disclosed
US-20140057900-A1 Pro-Neurogenic Compounds BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-02-27 US disclosed
WO-2014031986-A1 PRO-NEUROGENIC COMPOUNDS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-02-27 WO disclosed
WO-2014031986-A1 PRO-NEUROGENIC COMPOUNDS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-02-27 WO disclosed
US-20120108499-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2012-05-03 US disclosed
US-20100167995-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2010-07-01 US disclosed
US-7612036-B2 Peptoid compounds UNIVERSITY OF WOLLONGONG (AU) 2009-11-03 US disclosed
US-20070111927-A1 Peptoid compounds UNIVERSITY OF WOLLONGONG (AU) 2007-05-17 US disclosed
US-7160854-B2 Binaphthyl peptidomimetics for treating vancomycin resistant Staphylococcus aureas infections UNIVERSITY OF WOLLONGONG (AU) 2007-01-09 US 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 (6 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-20120108499-A1 PEPTOID COMPOUNDS VIP, FPR1, VIPR1 ACHE 4871/4885BCHE 3785/4885MEN1 3065/4885
US-20100167995-A1 PEPTOID COMPOUNDS VIP, FPR1, VIPR1 ACHE 4871/4885BCHE 3785/4885MEN1 3065/4885
US-20140057900-A1 Pro-Neurogenic Compounds BDNF, NES, DCX ACHE 198/4885BCHE 539/4885MEN1 3415/4885
US-20190135809-A1 Pro-Neurogenic Compounds BDNF, NES, DCX ACHE 198/4885BCHE 539/4885MEN1 3415/4885
US-20070111927-A1 Peptoid compounds VIP, FPR1, VIPR1 ACHE 4871/4885BCHE 3785/4885MEN1 3065/4885
US-20170305906-A1 Pro-Neurogenic Compounds BDNF, NES, DCX ACHE 198/4885BCHE 539/4885MEN1 3415/4885

“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.