SCHEMBL1921034

SCHEMBL1921034

CCOC(=O)c1c(Nc2ccc(SC)cc2Cl)c2ccccc2n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX5 P09917 3/20 0.39
MAPT P10636 3/20 0.39
PABPC1 P11940 1/20 0.39
EIF4H Q15056 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
METTL3 Q86U44 1/20 0.39
ELANE P08246 2/20 0.38
NPC1 O15118 1/20 0.38
ALOX15 P16050 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SPR P35270 1/20 0.38

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
SCHEMBL1922052 0.73 GAA (0.44) ALDH1A1KDM4ESMN1; SMN2GAAMAPT
SCHEMBL4339606 0.73 MAP4K4 (0.47) ALDH1A1KDM4ETSHRGAAHPGD
SCHEMBL1920341 0.72 SRC (0.41) ALDH1A1KDM4ESMN1; SMN2TSHRGAA
SCHEMBL30639225 0.69 TSHR (0.66) ALDH1A1KDM4ESMN1; SMN2TSHRGAA
SCHEMBL7878088 0.69 TSHR (0.66) ALDH1A1KDM4ESMN1; SMN2TSHRGAA
SCHEMBL12533872 0.69 MAP2K1 (0.42)
SCHEMBL9867870 0.68 ALDH1A1 (0.68) ALDH1A1KDM4ESMN1; SMN2TSHRLMNA
Fumaric Acid SCHEMBL8051638 0.68 SLC6A2 (0.48) ALDH1A1KDM4ESMN1; SMN2TSHRGAA
Maleic Acid SCHEMBL8051635 0.68 SLC6A2 (0.48) ALDH1A1KDM4ESMN1; SMN2TSHRGAA
SCHEMBL25257553 0.68 LMNA (0.55) ALDH1A1KDM4ESMN1; SMN2TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099796-B1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2011-06-01 EP disclosed
EP-2099796-B1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2011-06-01 EP disclosed
US-7855216-B2 Aza-indolyl compounds and methods of use GENENTECH, INC. (US) 2010-12-21 US disclosed
US-7855216-B2 Aza-indolyl compounds and methods of use GENENTECH, INC. (US) 2010-12-21 US disclosed
US-7855216-B2 Aza-indolyl compounds and methods of use GENENTECH, INC. (US) 2010-12-21 US disclosed
EP-2099796-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-09-16 EP disclosed
US-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2008-10-02 US disclosed
US-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2008-10-02 US disclosed
US-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2008-10-02 US disclosed
WO-2008067481-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-05 WO disclosed
WO-2008067481-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-05 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 (1 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-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE CDKN1A, MKI67, CCNI ALDH1A1 1224/4885KDM4E 270/4885SMN1; SMN2 4366/4885

“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.