SCHEMBL2186647

SCHEMBL2186647

C1=Cc2ccccc2-c2ccccc2N=C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
BCHE P06276 1/20 0.33
POLB P06746 1/20 0.33
PTPRC P08575 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
PKM P14618 1/20 0.33
IDO1 P14902 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
PTPN1 P18031 1/20 0.33
ACHE P22303 1/20 0.33
CES1 P23141 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.33

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
SCHEMBL2186641 1.00 KDM4E (0.33) KDM4EMEN1ALDH1A1LMNABCHE
SCHEMBL10512958 0.83 PTPRC (0.33) PTPRC
SCHEMBL30816755 0.77 MEN1 (0.33) KDM4EMEN1ALDH1A1LMNABCHE
SCHEMBL379612 0.74 TRPA1 (0.33) TRPA1
SCHEMBL379614 0.74 TRPA1 (0.33) TRPA1
SCHEMBL568780 0.74 MEN1 (0.46) KDM4EMEN1ALDH1A1LMNABCHE
SCHEMBL504078 0.74 MEN1 (0.46) KDM4EMEN1ALDH1A1LMNABCHE
Fluoride SCHEMBL28557472 0.72 TRPA1 (0.32) TRPA1
SCHEMBL9985286 0.71 MEN1 (0.44) KDM4EMEN1ALDH1A1LMNABCHE
SCHEMBL9985289 0.71 MEN1 (0.44) KDM4EMEN1ALDH1A1LMNABCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108499-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2012-05-03 US claimed
EP-2343285-A2 Peptoid compounds UNIVERSITY OF WOLLONGONG (AU) 2011-07-13 EP claimed
US-20100167995-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2010-07-01 US claimed
JP-4446736-B2 2010-04-07 JP claimed
EP-1412336-A4 PEPTOID COMPOUNDS UNIV WOLLONGONG (AU) 2007-08-29 EP claimed
US-20070111927-A1 Peptoid compounds UNIVERSITY OF WOLLONGONG (AU) 2007-05-17 US claimed
US-20050043509-A1 Peptoid compounds UNIVERSITY OF WOLLONGONG 2005-02-24 US claimed
JP-2005504734-A 2005-02-17 JP claimed
EP-1412336-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2004-04-28 EP claimed
WO-2003002545-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2003-01-09 WO claimed
EP-2343285-B1 Peptoid compounds useful as antibiotics UNIV WOLLONGONG (AU) 2015-02-25 EP 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-0404536-A1 Indenoindole compounds I UNIVERSITY OF BATH (GB) 1990-12-27 EP disclosed
WO-1990015800-A1 INDENOINDOLE COMPOUNDS UNIVERSITY OF BATH (GB) 1990-12-27 WO disclosed
US-4904688-A Tricyclic amine derivatives AKZO N.V. (NL) 1990-02-27 US disclosed
US-4904688-A Tricyclic amine derivatives AKZO N.V. (NL) 1990-02-27 US disclosed
EP-0332246-A1 Tricyclic amine derivatives AKZO N.V. (NL) 1989-09-13 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 (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 KDM4E 4594/4885MEN1 3065/4885ALDH1A1 4540/4885
US-20100167995-A1 PEPTOID COMPOUNDS VIP, FPR1, VIPR1 KDM4E 4594/4885MEN1 3065/4885ALDH1A1 4540/4885
US-20070111927-A1 Peptoid compounds VIP, FPR1, VIPR1 KDM4E 4594/4885MEN1 3065/4885ALDH1A1 4540/4885
US-20050043509-A1 Peptoid compounds VIP, FPR1, VIPR1 KDM4E 4594/4885MEN1 3065/4885ALDH1A1 4540/4885

“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.