SCHEMBL6562924

SCHEMBL6562924

N#CCc1ccc(CC#N)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CSNK2A1 P68400 2/20 0.36
CYP2A6 P11509 1/20 0.36
KDM4E B2RXH2 4/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36
GAA P10253 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
CYP19A1 P11511 1/20 0.35
CFTR P13569 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 2/20 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
SCHEMBL21617927 0.90 ALDH1A1 (0.45) ALDH1A1HPGDEGFRSRCMAPT
SCHEMBL11940517 0.89 ALDH1A1 (0.39) ALDH1A1HPGDEGFRSRCMAPT
SCHEMBL958435 0.89 CSNK2A1 (0.41) ALDH1A1HPGDEGFRSRCMAPT
SCHEMBL4183300 0.87 DAO (0.40) ALDH1A1HPGDEGFRSRCMAPT
SCHEMBL3247894 0.87 CYP1A2 (0.52) ALDH1A1HPGDEGFRSRCMAPT
SCHEMBL7852993 0.85 PAX8 (0.42) MEN1KMT2A
SCHEMBL182660 0.81 CYP1A2 (0.52) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL30559660 0.81 CYP1A2 (0.52) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL18751635 0.81 CRHBP (0.47) ALDH1A1HPGDEGFRSRCMAPT
SCHEMBL29809738 0.80 ALDH1A1 (0.56) ALDH1A1HPGDEGFRSRCMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296945-B1 SULFONAMIDE DERIVATIVES LILLY CO ELI (US) 2004-08-04 EP disclosed
US-6703425-B2 ADMINISTERING GLUTAMATE RECEPTOR POTENTIATOR TO TREAT PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY 2004-03-09 US disclosed
US-20030229102-A1 Sulfonamide derivatives ELI LILLY AND COMPANY 2003-12-11 US disclosed
EP-1296945-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2003-04-02 EP disclosed
WO-2001096289-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-12-20 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-20030229102-A1 Sulfonamide derivatives GRIN1, GRIN2A, SLC1A2 ALDH1A1 270/4885HPGD 1440/4885EGFR 3475/4885

“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.