SCHEMBL5877976

SCHEMBL5877976

Cc1ccc(C)n1-c1ccc(C(C)C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 7/20 0.42
MAPT P10636 7/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.40
HPGD P15428 2/20 0.40
APEX1 P27695 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 4/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PIK3CD O00329 1/20 0.37
PDPK1 O15530 1/20 0.37
AKT1 P31749 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37

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
SCHEMBL6565095 0.78 ESR1 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL13542787 0.77 MAPT (0.50) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL958687 0.74 ALDH1A1 (0.44) ALDH1A1TDP1LMNASMN1; SMN2
SCHEMBL5877830 0.73 CTSB (0.45) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL955060 0.72 TYR (0.41) ALDH1A1KDM4EPOLBHPGDHTT
SCHEMBL16604399 0.71 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL6619783 0.71 JAK1 (0.36) ALDH1A1KDM4EMAPTPOLBHPGD
SCHEMBL9742774 0.69 MAPT (0.44) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL4160843 0.69 ALOX5 (0.41) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL909757 0.69 ADRB2 (0.50) ALDH1A1MAPTPOLBHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135487-B2 such as N-2-(4-Bromophenyl)propyl methanesulfonamide; sulfonamidation of the amine; glutamate receptor potentiators ELI LILLY AND COMPANY (US) 2006-11-14 US disclosed
US-20060030599-A1 SULPHONAMIDE DERIVATIVES ARNOLD MACKLIN B 2006-02-09 US disclosed
EP-1528055-A2 Sulphonamide Derivatives Eli Lilly & Company (US) 2005-05-04 EP disclosed
EP-0860428-B1 Sulphonamide derivatives LILLY CO ELI (US) 2004-12-08 EP disclosed
US-20040097499-A1 Amide, carbamate, and urea derivatives ARNOLD MACKLIN BRIAN (US) 2004-05-20 US disclosed
US-20040054009-A1 (BIS)sulfonamide derivatives KNOBELSDORF JAMES ALLEN (US) 2004-03-18 US disclosed
US-6617351-B1 Amide, carbamate, and urea derivatives ELI LILLY AND COMPANY 2003-09-09 US disclosed
US-6596716-B2 2-propane-sulphonamide derivatives ELI LILLY AND COMPANY 2003-07-22 US disclosed
US-6525099-B1 Potentiating glutamate receptor function; psychiatric and neurological disorders ELI LILLY AND COMPANY 2003-02-25 US disclosed
US-6521605-B1 Potentiating glutamate receptor function; treating such as psychiatric and neurological disorders ELI LILLY AND COMPANY 2003-02-18 US disclosed
US-20020002158-A1 Sulphonamide derivatives ARNOLD MACKLIN B (US) 2002-01-03 US disclosed
US-6303816-B1 Sulphonamide derivatives ELI LILLY AND COMPANY 2001-10-16 US disclosed
WO-2000006537-A1 N-SUBSTITUTED SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-2000006156-A1 AMIDE, CARBAMATE, AND UREA DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0976744-A1 Amide, carbamate, and urea derivatives having glutamate receptor function potentiating activity ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
EP-0860428-A2 Sulphonamide derivatives ELI LILLY AND COMPANY (US) 1998-08-26 EP 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 (4 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-20060030599-A1 SULPHONAMIDE DERIVATIVES GRIN2C, GLRA2, GLRA1 ALDH1A1 952/4885KDM4E 803/4885MAPT 4760/4885
US-20020002158-A1 Sulphonamide derivatives GRIN2C, GRM1, GRM3 ALDH1A1 655/4885KDM4E 902/4885MAPT 4777/4885
US-20040054009-A1 (BIS)sulfonamide derivatives GRIN2A, GRIN2B, GABRE ALDH1A1 881/4885KDM4E 3140/4885MAPT 1559/4885
US-20040097499-A1 Amide, carbamate, and urea derivatives GRIN2A, GLUL, GRIK5 ALDH1A1 2582/4885KDM4E 723/4885MAPT 406/4885

“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.