SCHEMBL3415489

SCHEMBL3415489

O=S1(=O)CCN(Cc2cc(NC3CCCC3)c3[nH]c(-c4cccc(F)c4)cc3c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 2/20 0.40
CHEK1 O14757 1/20 0.40
KCNH2 Q12809 1/20 0.40
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
LMNA P02545 1/20 0.36
CCR3 P51677 2/20 0.35
NPY5R Q15761 1/20 0.35
SIGMAR1 Q99720 3/20 0.34
TNKS O95271 1/20 0.34
MCHR1 Q99705 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACKR3 P25106 1/20 0.34
JAK2 O60674 1/20 0.34
TYK2 P29597 1/20 0.34

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
SCHEMBL2995328 0.92 VCP (0.39) VCPCHEK1KCNH2DRD2DRD4
SCHEMBL29936652 0.92 VCP (0.39) VCPCHEK1KCNH2DRD2DRD4
SCHEMBL27800852 0.84 CHEK1 (0.40) VCPCHEK1KCNH2DRD2DRD4
SCHEMBL3015318 0.84 VCP (0.42) VCPCHEK1KCNH2DRD2DRD4
SCHEMBL31043038 0.84 VCP (0.42) VCPCHEK1KCNH2DRD2DRD4
SCHEMBL3415437 0.83 VCP (0.40) VCPCHEK1KCNH2DRD2DRD4
SCHEMBL3420155 0.82 ACP1 (0.43) DRD4CCR3MCHR1ACKR3JAK2
SCHEMBL1897623 0.82 CSF1R (0.42) VCPDRD2DRD4NPY5RKDM4E
SCHEMBL29386984 0.82 CSF1R (0.42) VCPDRD2DRD4NPY5RKDM4E
SCHEMBL2995429 0.80 ALDH1A1 (0.41) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2230238-B1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG LIFE SCIENCES LTD (KR) 2013-12-11 EP claimed
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
US-20100291533-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG LIFE SCIENCES LTD. (KR) 2010-11-18 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
US-20100291533-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT LG LIFE SCIENCES LTD. (KR) 2010-11-18 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 (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-20120270203-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT IDO1, IDO2, INMT VCP 4243/4885CHEK1 1034/4885KCNH2 563/4885
US-20100291533-A1 INDOLE AND INDAZOLE DERIVATIVES HAVING A CELL-, TISSUE- AND ORGAN-PRESERVING EFFECT IDO1, IDO2, INMT VCP 4243/4885CHEK1 1034/4885KCNH2 563/4885

“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.