SCHEMBL4505217

SCHEMBL4505217

COC(=O)c1cc(C#C[Si](C)(C)C)c(NC(C)=O)cc1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 2/20 0.36
KDM4E B2RXH2 3/20 0.35
KMT2A Q03164 1/20 0.35
CDK1 P06493 1/20 0.35
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL4505478 0.86 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTGAAKDM4E
SCHEMBL18227299 0.86 HTT (0.42) ALDH1A1SMN1; SMN2MAPTGAAKDM4E
SCHEMBL4514562 0.82 TDP1 (0.51) ALDH1A1SMN1; SMN2MAPTGAAKDM4E
SCHEMBL28183719 0.81 GAA (0.40) ALDH1A1SMN1; SMN2GAAKDM4EHPGD
SCHEMBL28714434 0.78 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2MAPTKDM4EKMT2A
SCHEMBL4770176 0.78 GAA (0.47) ALDH1A1SMN1; SMN2GAAKDM4EKMT2A
SCHEMBL25156545 0.77 KDM4E (0.42) ALDH1A1MAPTGAAKDM4EKMT2A
SCHEMBL30344983 0.77 KDM4E (0.42) ALDH1A1MAPTGAAKDM4EKMT2A
SCHEMBL5413239 0.77 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTGAAKDM4E
SCHEMBL12488810 0.74 PDK2 (0.36) ALDH1A1GAAKDM4EKMT2AHPGD

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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
US-8507499-B2 Substituted indole/indazole-pyrimidinyl compounds CONFLUENCE LIFE SCIENCES, INC. (US) 2013-08-13 US disclosed
US-20120142696-A1 SUBSTITUTED INDOLE/INDAZOLE-PYRIMIDINYL COMPOUNDS ACLARIS THERAPEUTICS, INC. 2012-06-07 US disclosed
US-7488744-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2009-02-10 US disclosed
US-7488744-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2009-02-10 US disclosed
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS, INC. (US) 2007-10-04 US disclosed
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS, INC. (US) 2007-10-04 US disclosed
US-7220763-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2007-05-22 US disclosed
US-7220763-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2007-05-22 US disclosed
EP-1545528-A4 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC (US) 2006-07-26 EP disclosed
EP-1545528-A2 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC. (US) 2005-06-29 EP disclosed
US-20040142940-A1 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. 2004-07-22 US disclosed
WO-2004022712-A2 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF p38 KINASE SCIOS INC. (US) 2004-03-18 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 (3 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-20040142940-A1 Indole-type derivatives as inhibitors of p38 kinase MAPK1, MAPKAPK2, MAPK4 ALDH1A1 2371/4885SMN1; SMN2 3757/4885MAPT 1076/4885
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE MAPK1, MAPKAPK2, MAPKAPK5 ALDH1A1 1773/4885SMN1; SMN2 3749/4885MAPT 936/4885
US-20120142696-A1 SUBSTITUTED INDOLE/INDAZOLE-PYRIMIDINYL COMPOUNDS MAPK1, MAP3K1, MAP3K20 ALDH1A1 2496/4885SMN1; SMN2 3611/4885MAPT 1607/4885

“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.