SCHEMBL3415029

SCHEMBL3415029

COC(C)CCNc1cc(CN2CCS(=O)(=O)CC2)cc2cc(-c3ccccc3)[nH]c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.37
DHODH Q02127 1/20 0.34
VCP P55072 1/20 0.34
NPY5R Q15761 6/20 0.34
FAAH O00519 1/20 0.33
PKM P14618 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
PTK2 Q05397 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 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
SCHEMBL2998635 0.84 ACP1 (0.42) ACP1NPY5RPKMMEN1KMT2A
SCHEMBL2995349 0.77 VCP (0.37) ACP1DHODHVCP
SCHEMBL29384916 0.77 JAK1 (0.40) ACP1DHODHVCPNPY5RFAAH
SCHEMBL3433366 0.77 JAK1 (0.40) ACP1DHODHVCPNPY5RFAAH
SCHEMBL31043039 0.77 CSF1R (0.43) ACP1DHODHVCPNPY5R
SCHEMBL3415437 0.75 VCP (0.40) ACP1DHODHVCPPKMMEN1
SCHEMBL29838033 0.74 CSF1R (0.40) ACP1DHODHVCPNPY5RJAK2
SCHEMBL1897623 0.74 CSF1R (0.42) DHODHVCPNPY5RPKMADORA1
SCHEMBL29386984 0.74 CSF1R (0.42) DHODHVCPNPY5RPKMADORA1
SCHEMBL1897444 0.73 ADORA2B (0.41) DHODHVCPNPY5RMEN1KMT2A

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-8349885-B2 Indole and indazole derivatives having a cell-, tissue- and organ-preserving effect LG LIFE SCIENCES LTD. (KR) 2013-01-08 US claimed
US-20120270203-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG CHEM, LTD. (KR) 2012-10-25 US claimed
EP-2230238-A2 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG Life Sciences Ltd. (KR) 2010-09-22 EP claimed
EP-2230238-B1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG LIFE SCIENCES LTD (KR) 2013-12-11 EP disclosed
US-8349885-B2 Indole and indazole derivatives having a cell-, tissue- and organ-preserving effect LG LIFE SCIENCES LTD. (KR) 2013-01-08 US disclosed
US-20120270203-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG CHEM, LTD. (KR) 2012-10-25 US disclosed
EP-2230238-A2 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG Life Sciences Ltd. (KR) 2010-09-22 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 (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-20120270203-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT IDO1, IDO2, INMT ACP1 3064/4885DHODH 2870/4885VCP 4243/4885

“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.