SCHEMBL2000625

SCHEMBL2000625

c1ccc2[nH]c(CC3N=NN=N3)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.53
HDAC8 Q9BY41 2/20 0.47
HRH3 Q9Y5N1 2/20 0.43
AHR P35869 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
CHRNA7 P36544 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
PCSK9 Q8NBP7 1/20 0.40
IDO1 P14902 1/20 0.40
AOC3 Q16853 1/20 0.40

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
SCHEMBL3000197 0.74 IDO1 (0.38) HRH4MTNR1AMTNR1BIDO1
SCHEMBL7169246 0.73 LOXL2 (0.69) LOXL2HRH3AHRHRH4CHRNA7
SCHEMBL28338445 0.73 LOXL2 (0.69) LOXL2HRH3AHRHRH4MTNR1A
SCHEMBL401081 0.73 LOXL2 (0.69) LOXL2HRH3AHRHRH4MTNR1A
SCHEMBL31059889 0.73 LOXL2 (0.69) LOXL2HRH3AHRHRH4CHRNA7
SCHEMBL29403791 0.73 LOXL2 (0.69) LOXL2HRH3AHRHRH4MTNR1A
SCHEMBL476312 0.72 LOXL2 (0.53) LOXL2HDAC8HRH3AHRHRH4
SCHEMBL28335219 0.71 LOXL2 (0.67) LOXL2HRH3AHRCHRNA7MTNR1A
SCHEMBL28551943 0.71 LOXL2 (0.51) LOXL2HDAC8HRH3AHRHRH4
SCHEMBL26054231 0.71 BCHE (0.53) LOXL2HDAC8HRH3AHRHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 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 (1 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-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT LOXL2 527/4885HDAC8 584/4885HRH3 176/4885

“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.