SCHEMBL4521699

SCHEMBL4521699

OCc1cc2cc(I)ccc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.42
IDO1 P14902 3/20 0.42
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
APP P05067 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.36
CA12 O43570 3/20 0.36
CA2 P00918 3/20 0.36
CA3 P07451 3/20 0.36
CA6 P23280 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CA5B Q9Y2D0 3/20 0.36
CA4 P22748 2/20 0.36
CA5A P35218 2/20 0.36
CA1 P00915 1/20 0.35
AGXT P21549 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
DRD2 P14416 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
SCHEMBL3617999 0.81 APP (0.38) IDO1F2F10APPLOXL2
SCHEMBL17577773 0.78 FLT3 (0.52) HDAC6IDO1APPCA12CA2
SCHEMBL29988390 0.77 IDO1 (0.53) HDAC6IDO1F2F10CA12
SCHEMBL28853014 0.77 HDAC6 (0.42) HDAC6IDO1F2F10LOXL2
SCHEMBL120819 0.77 IDO1 (0.55) HDAC6IDO1F2F10CA12
SCHEMBL4689215 0.77 FLT3 (0.55) HDAC6IDO1F2F10APP
SCHEMBL31095794 0.77 IDO1 (0.55) HDAC6IDO1F2F10CA12
SCHEMBL120404 0.77 IDO1 (0.53) HDAC6IDO1F2F10APP
SCHEMBL10422458 0.77 IDO1 (0.53) HDAC6IDO1F2F10CA12
SCHEMBL9430490 0.77 MAOB (0.49) HDAC6IDO1APPCA12CA2

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-8618132-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-12-31 US disclosed
EP-1558578-B1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2013-03-13 EP disclosed
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-03-12 US disclosed
US-7452911-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-11-18 US disclosed
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-10-21 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 (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-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 HDAC6 3295/4885IDO1 214/4885F2 3826/4885
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MCHR2, NPY1R HDAC6 3655/4885IDO1 180/4885F2 3849/4885

“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.