SCHEMBL2187573

SCHEMBL2187573

[c]1nc(-c2cccc3ccccc23)cc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR2C P28335 4/20 0.38
ALPL P05186 1/20 0.38
GAA P10253 1/20 0.38
HTR2A P28223 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37

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
SCHEMBL2441442 0.84 TNF (0.54) GSK3BCDK5CDK5R1KDM4EALDH1A1
SCHEMBL6448222 0.81 PRKCZ (0.45) HTR2C
SCHEMBL9870201 0.80 ALDH1A1 (0.35) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL9674487 0.79 CYP1A2 (0.48) GSK3BCDK5CDK5R1KDM4EALDH1A1
SCHEMBL17969988 0.75 MEN1 (0.53) MEN1KMT2AGSK3BCDK5CDK5R1
SCHEMBL17970015 0.75 MEN1 (0.53) MEN1KMT2AGSK3BCDK5CDK5R1
SCHEMBL467566 0.75 MAPT (0.42) KMT2AKDM4EALDH1A1HPGDNPC1
SCHEMBL10915970 0.74 ESR1 (0.45) KMT2AKDM4EALDH1A1HPGDNPC1
SCHEMBL637345 0.73 MEN1 (0.43) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL13133540 0.72 MEN1 (0.54) MEN1KMT2AGSK3BCDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2343285-B1 Peptoid compounds useful as antibiotics UNIV WOLLONGONG (AU) 2015-02-25 EP disclosed
WO-2013052716-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-04-11 WO disclosed
US-20120108499-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2012-05-03 US disclosed
EP-2343285-A2 Peptoid compounds UNIVERSITY OF WOLLONGONG (AU) 2011-07-13 EP 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
EP-1412336-A4 PEPTOID COMPOUNDS UNIV WOLLONGONG (AU) 2007-08-29 EP 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
US-20050043509-A1 Peptoid compounds UNIVERSITY OF WOLLONGONG 2005-02-24 US disclosed
EP-1412336-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2004-04-28 EP disclosed
WO-2003002545-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2003-01-09 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-20120108499-A1 PEPTOID COMPOUNDS VIP, FPR1, VIPR1 MEN1 3065/4885KMT2A 4739/4885GSK3B 2623/4885
US-20100167995-A1 PEPTOID COMPOUNDS VIP, FPR1, VIPR1 MEN1 3065/4885KMT2A 4739/4885GSK3B 2623/4885
US-20070111927-A1 Peptoid compounds VIP, FPR1, VIPR1 MEN1 3065/4885KMT2A 4739/4885GSK3B 2623/4885
US-20050043509-A1 Peptoid compounds VIP, FPR1, VIPR1 MEN1 3065/4885KMT2A 4739/4885GSK3B 2623/4885

“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.