SCHEMBL6574277

SCHEMBL6574277

CC(C#N)Oc1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP2A6 P11509 2/20 0.43
HRH3 Q9Y5N1 5/20 0.42
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA1 P00915 1/20 0.41
MAOB P27338 2/20 0.40
MMP2 P08253 2/20 0.40
MAPT P10636 2/20 0.40
MMP3 P08254 1/20 0.40
HPGD P15428 1/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA14 Q9ULX7 1/20 0.38
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP2 Q9UGN5 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
SCHEMBL31373868 0.84 GAA (0.42) GAASMN1; SMN2ALDH1A1CYP2A6HRH3
SCHEMBL105821 0.83 ALDH1A3 (0.47) GAASMN1; SMN2ALDH1A1CYP2A6HRH3
SCHEMBL5226607 0.81 CA1 (0.48) GAASMN1; SMN2ALDH1A1CA2CA9
SCHEMBL9921642 0.81 ALDH1A1 (0.41) ALDH1A1CYP2A6CA2CA9CA1
SCHEMBL20222884 0.79 GAA (0.44) GAASMN1; SMN2ALDH1A1CYP2A6HRH3
SCHEMBL11156880 0.79 L3MBTL1 (0.45) GAAALDH1A1KDM4EPOLB
SCHEMBL10572263 0.79 ALDH1A1 (0.43) GAASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL20353279 0.79 HRH3 (0.46) GAASMN1; SMN2ALDH1A1CYP2A6HRH3
SCHEMBL15652387 0.79 TDP1 (0.43) GAASMN1; SMN2ALDH1A1MAOBMAPT
SCHEMBL9918362 0.79 ALDH1A1 (0.37) GAASMN1; SMN2ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147612-A1 Sulfonamide derivatives DAVISON JOSHUA ZWICK (US) 2004-07-29 US disclosed
EP-1409452-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2004-04-21 EP disclosed
WO-2002098846-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-12-12 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-20040147612-A1 Sulfonamide derivatives GRIN1, GRIN2A, GRIA1 GAA 1132/4885SMN1; SMN2 386/4885ALDH1A1 365/4885

“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.