SCHEMBL6573175

SCHEMBL6573175

CC(C#N)c1ccc(OCC#N)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
GAA P10253 4/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH2 P05091 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GRM5 P41594 1/20 0.36
SYK P43405 1/20 0.35
PBRM1 Q86U86 1/20 0.35
SLC2A1 P11166 1/20 0.34
TSHR P16473 1/20 0.33
CTSA P10619 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 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
SCHEMBL12251052 0.85 GRM5 (0.48) ALDH1A1GAAKDM4EALDH2GLA
SCHEMBL953450 0.83 NQO1 (0.54) GAAHPGDL3MBTL1TSHRNQO1
SCHEMBL31377036 0.81 ACACB (0.35) ALDH1A1GAAPBRM1TSHRMEN1
SCHEMBL12303187 0.80 PBRM1 (0.41) ALDH1A1GAAKDM4EALDH2GLA
SCHEMBL18896390 0.80 ALDH1A1 (0.54) ALDH1A1GAAKDM4EALDH2GLA
SCHEMBL953996 0.80 SLC2A1 (0.47) SMN1; SMN2SLC2A1
SCHEMBL9918191 0.77 PBRM1 (0.39) ALDH1A1GAAKDM4EALDH2GLA
SCHEMBL6565095 0.77 ESR1 (0.43) ALDH1A1GAATSHRMEN1KMT2A
SCHEMBL956691 0.76 ALDH1A1 (0.55) ALDH1A1GAAKDM4EHPGDSMN1; SMN2
SCHEMBL8030986 0.76 NR5A1 (0.53) ALDH1A1KDM4EHPGDL3MBTL1SLC2A1

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 ALDH1A1 365/4885GAA 1132/4885KDM4E 3086/4885

“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.