SCHEMBL4196702

SCHEMBL4196702

Cc1ccc(S(=O)(=O)OC2CCC(O[Si](C)(C)C(C)(C)C)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.46
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 1/20 0.43
CYP1A2 P05177 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
ENPP3 O14638 2/20 0.32
ENPP1 P22413 2/20 0.32
ENPP2 Q13822 2/20 0.32
HTR6 P50406 1/20 0.32
NAAA Q02083 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ACHE P22303 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
VDR P11473 1/20 0.31

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
SCHEMBL20594990 0.95 CYP2D6 (0.44) CYP2D6CYP3A4CYP2C19CYP1A2SMN1; SMN2
SCHEMBL16611012 0.92 CYP2D6 (0.51) CYP2D6CYP3A4CYP2C19CYP1A2SMN1; SMN2
SCHEMBL16720978 0.92 CYP2D6 (0.45) CYP2D6CYP3A4CYP2C19CYP1A2SMN1; SMN2
SCHEMBL16611088 0.92 CYP2D6 (0.51) CYP2D6CYP3A4CYP2C19CYP1A2SMN1; SMN2
SCHEMBL16720982 0.92 CYP2D6 (0.45) CYP2D6CYP3A4CYP2C19CYP1A2SMN1; SMN2
SCHEMBL16611014 0.92 CYP2D6 (0.51) CYP2D6CYP3A4CYP2C19CYP1A2SMN1; SMN2
SCHEMBL13236711 0.86 CYP2D6 (0.41) CYP2D6CYP3A4CYP2C19CYP1A2SMN1; SMN2
SCHEMBL13236709 0.86 CYP2D6 (0.43) CYP2D6CYP3A4CYP2C19CYP1A2LMNA
SCHEMBL14778959 0.84 CYP2D6 (0.59) CYP2D6CYP3A4CYP2C19CYP1A2SMN1; SMN2
SCHEMBL6949043 0.83 CYP2D6 (0.41) CYP2D6CYP3A4CYP2C19CYP1A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3423443-B1 CYANO-SUBSTITUTED INDOLE COMPOUNDS AND USES THEREOF AS LSD1 INHIBITORS NOVARTIS AG (CH) 2020-08-19 EP disclosed
EP-3642195-A1 SUBSTITUTED 5-CYANOINDOLE COMPOUNDS AND USES THEREOF Novartis AG (CH) 2020-04-29 EP disclosed
US-10604502-B2 Substituted 5-cyanoindole compounds and uses thereof NOVARTIS AG (CH) 2020-03-31 US disclosed
US-10590079-B2 Cyano-substituted indoles as LSD1 inhibitors NOVARTIS AG (CH) 2020-03-17 US disclosed
US-20190092724-A1 CYANO-SUBSTITUTED INDOLE COMPOUNDS AND USES THEREOF AS LSD1 INHIBITORS NOVARTIS AG (CH) 2019-03-28 US disclosed
US-20190023684-A1 SUBSTITUTED 5-CYANOINDOLE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2019-01-24 US disclosed
EP-3423443-A1 CYANO-SUBSTITUTED INDOLE COMPOUNDS AND USES THEREOF AS LSD1 INHIBITORS Novartis AG (CH) 2019-01-09 EP disclosed
WO-2018234978-A1 SUBSTITUTED 5-CYANOINDOLE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2018-12-27 WO disclosed
US-20090048255-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS SCHUMACHER RICHARD A 2009-02-19 US disclosed
US-7405230-B2 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs MEMORY PHARMACEUTICALS CORPORATION (US) 2008-07-29 US disclosed
EP-1539697-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS Memory Pharmaceutical Corporation (US) 2005-06-15 EP disclosed
US-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs MEMORY PHARMACEUTICALS CORP. (US) 2005-06-02 US disclosed
WO-2004009552-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-01-29 WO disclosed
WO-2001030745-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-03 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 (6 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-10604502-B2 Substituted 5-cyanoindole compounds and uses thereof KDM1A, KDM5A, KDM1B CYP2D6 1183/4885CYP3A4 1193/4885CYP2C19 1172/4885
US-10590079-B2 Cyano-substituted indoles as LSD1 inhibitors KDM1A, KDM1B, KDM3A CYP2D6 1548/4885CYP3A4 1490/4885CYP2C19 1139/4885
US-20190023684-A1 SUBSTITUTED 5-CYANOINDOLE COMPOUNDS AND USES THEREOF KDM1A, KDM5A, KDM1B CYP2D6 1183/4885CYP3A4 1193/4885CYP2C19 1172/4885
US-20190092724-A1 CYANO-SUBSTITUTED INDOLE COMPOUNDS AND USES THEREOF AS LSD1 INHIBITORS KDM1A, KDM1B, KDM2A CYP2D6 1561/4885CYP3A4 1577/4885CYP2C19 1361/4885
US-20090048255-A1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED ANILINE AND DIPHENYLAMINE ANALOGS PDE4A, PDE4B, PDE3A CYP2D6 452/4885CYP3A4 52/4885CYP2C19 236/4885
US-20050119225-A1 Phosphodiesterase 4 inhibitors, including N-substituted aniline and diphenylamine analogs PDE4A, PDE4B, PDE3A CYP2D6 452/4885CYP3A4 52/4885CYP2C19 236/4885

“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.