SCHEMBL343089

SCHEMBL343089

Cc1ccccc1-c1cccn2cc(C3CCCN3C(=O)O)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.42
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 4/20 0.38
TP53 P04637 2/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA5 P08648 1/20 0.38
ITGA4 P13612 1/20 0.38
AADAT Q8N5Z0 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL14144748 0.91 HCRTR1 (0.46) HCRTR1ALDH1A1MEN1KMT2APOLB
SCHEMBL342144 0.88 ALDH1A3 (0.50) HCRTR1KDM4EALDH1A1TSHRALDH1A2
SCHEMBL342337 0.87 ALDH1A3 (0.40) HCRTR1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4563122 0.87 SCD5 (0.42) HCRTR1ALDH1A1ALDH1A2ALDH1A3HCRTR2
SCHEMBL342552 0.86 PREP (0.43) HCRTR1KDM4EALDH1A1ALDH1A2ALDH1A3
SCHEMBL341368 0.86 AADAT (0.44) TSHRNPSR1AADATMEN1KMT2A
SCHEMBL342015 0.81 TRPV1 (0.38) HCRTR1KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL343005 0.79 RIPK1 (0.33) HCRTR1KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL4563773 0.79 DRD2 (0.42) HCRTR1HCRTR2
SCHEMBL14144746 0.79 ALDH1A3 (0.47) HCRTR1ALDH1A1ALDH1A2ALDH1A3HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015974-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2012-01-19 US disclosed
US-8063218-B2 Imidazopyridine inhibitors of IAP GENENTECH, INC. (US) 2011-11-22 US disclosed
US-20100130539-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP GENENTECH INC. (US) 2010-05-27 US disclosed
EP-2125809-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP Genentech, Inc. (US) 2009-12-02 EP disclosed
WO-2008079735-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2008-07-03 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 (2 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-20120015974-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC3 HCRTR1 2755/4885KDM4E 1951/4885HPGD 3736/4885
US-20100130539-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC3 HCRTR1 2755/4885KDM4E 1951/4885HPGD 3736/4885

“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.