SCHEMBL6091128

SCHEMBL6091128

COC(=O)c1ccc(SC#N)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.59
VCAM1 P19320 1/20 0.54
POLB P06746 1/20 0.53
ALDH1A1 P00352 4/20 0.52
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 1/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL5917877 0.84 HPGD (0.66) HPGDVCAM1POLBALDH1A1MAPT
SCHEMBL7357430 0.83 HPGD (0.64) HPGDVCAM1POLBALDH1A1MAPT
SCHEMBL6089975 0.83 APEX1 (0.61) HPGDPOLBALDH1A1MAPTLMNA
SCHEMBL23768982 0.80 HPGD (0.63) HPGDVCAM1POLBALDH1A1MAPT
SCHEMBL4050924 0.80 HPGD (0.60) HPGDVCAM1POLBALDH1A1MAPT
SCHEMBL3218371 0.79 VCAM1 (0.58) HPGDVCAM1POLBALDH1A1MAPT
SCHEMBL21291391 0.78 HPGD (0.61) HPGDVCAM1POLBALDH1A1MAPT
SCHEMBL5734347 0.78 VCAM1 (0.68) HPGDVCAM1POLBALDH1A1MAPT
SCHEMBL17080196 0.78 HPGD (0.50) HPGDVCAM1POLBALDH1A1MAPT
SCHEMBL14476018 0.77 HPGD (0.67) HPGDVCAM1POLBALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150339-A1 Compounds and Their Use as PDE4 Activators MIRONID LIMITED (GB) 2024-05-09 US disclosed
EP-4291557-A1 COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS Mironid Limited (GB) 2023-12-20 EP disclosed
CN-116848107-A Compounds and their use as PDE4 activators 米罗尼德有限公司 2023-10-03 CN disclosed
WO-2022172037-A1 COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS MIRONID LIMITED (GB) 2022-08-18 WO disclosed
US-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors ELI LILLY AND COMPANY (US) 2006-10-19 US disclosed
CN-1742007-A Indole-derivative modulators of steroid hormone nuclear receptors LILLY CO ELI (US) 2006-03-01 CN disclosed
EP-1597254-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS Eli Lilly and Company (US) 2005-11-23 EP disclosed
WO-2004067529-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS ELI LILLY AND COMPANY (US) 2004-08-12 WO disclosed
WO-2004067529-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS ELI LILLY AND COMPANY (US) 2004-08-12 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-20240150339-A1 Compounds and Their Use as PDE4 Activators PDE4A, PDE4B, PDE4C HPGD 148/4885VCAM1 3379/4885POLB 563/4885
US-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors NR3C2, NR5A1, MC2R HPGD 281/4885VCAM1 2697/4885POLB 4849/4885

“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.