SCHEMBL12713469

SCHEMBL12713469

Cc1ccc(C)c(CSc2nc3ccsc3c(=O)n2CCCCO[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 9/20 0.56
▸ MAPT P10636 6/20 0.56
▸ ALDH1A1 P00352 6/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HTT P42858 1/20 0.44
▸ CYP2C19 P33261 1/20 0.43
▸ RXFP1 Q9HBX9 4/20 0.43
▸ TSHR P16473 3/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ RECQL P46063 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HPGD P15428 4/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ PLA2G1B P04054 1/20 0.41

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
SCHEMBL12713391 0.84 LMNA (0.64) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL12713425 0.84 LMNA (0.78) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL12713397 0.83 LMNA (0.63) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL12713395 0.82 LMNA (0.69) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL12713460 0.81 LMNA (0.53) LMNAMAPTALDH1A1SMN1; SMN2CYP2C19
SCHEMBL12713401 0.79 LMNA (0.57) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL12713398 0.79 LMNA (0.59) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL12713388 0.78 LMNA (0.63) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL12713389 0.76 LMNA (0.55) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL18883830 0.73 LMNA (0.50) LMNAMAPTALDH1A1SMN1; SMN2HTT

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-9657031-B2 Ant-ligands molecules and biological applications UNIVERSITE DE VERSAILLES-SAINT-QUENTIN-EN-YVELINES (FR) 2017-05-23 — — US disclosed
US-9657031-B2 Ant-ligands molecules and biological applications UNIVERSITE DE VERSAILLES-SAINT-QUENTIN-EN-YVELINES (FR) 2017-05-23 — — US disclosed
US-20140350033-A1 ANT-LIGANDS MOLECULES AND BIOLOGICAL APPLICATIONS MITOLOGICS (FR) 2014-11-27 — — US disclosed
US-20140350033-A1 ANT-LIGANDS MOLECULES AND BIOLOGICAL APPLICATIONS MITOLOGICS (FR) 2014-11-27 — — US disclosed
US-8809346-B2 ANT-ligands molecules and biological applications UNIVERSITE DE VERSAILLES-SAINT-QUENTIN-EN-YVELINES (FR) 2014-08-19 — — US disclosed
US-8809346-B2 ANT-ligands molecules and biological applications UNIVERSITE DE VERSAILLES-SAINT-QUENTIN-EN-YVELINES (FR) 2014-08-19 — — US disclosed
US-20110086865-A1 ANT-LIGANDS MOLECULES AND BIOLOGICAL APPLICATIONS MITOLOGICS (FR) 2011-04-14 — — 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-20140350033-A1 ANT-LIGANDS MOLECULES AND BIOLOGICAL APPLICATIONS CXCR3, ACKR3, CCR3 LMNA 2370/4885MAPT 4797/4885ALDH1A1 2899/4885
US-20110086865-A1 ANT-LIGANDS MOLECULES AND BIOLOGICAL APPLICATIONS CXCR3, ACKR3, CCR3 LMNA 2515/4885MAPT 4805/4885ALDH1A1 2352/4885

“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.

Send feedback