SCHEMBL6572089

SCHEMBL6572089

N#CCCc1ccc(OCC#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PDE4A P27815 7/20 0.45
PDE4B Q07343 7/20 0.45
PDE4C Q08493 7/20 0.45
PDE4D Q08499 7/20 0.45
FFAR1 O14842 2/20 0.43
GAA P10253 3/20 0.40
SYK P43405 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALDH2 P05091 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCNH2 Q12809 1/20 0.35
MAOB P27338 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL1542065 0.86 MEN1 (0.47) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL1542586 0.84 GAA (0.47) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL2163290 0.84 GAA (0.47) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL11761259 0.84 GAA (0.56) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL10899332 0.82 ALDH1A1 (0.45) KMT2AFFAR1GAAKDM4EALDH1A1
SCHEMBL10900661 0.82 FFAR1 (0.46) MEN1KMT2AFFAR1SYKALDH1A1
SCHEMBL1542340 0.82 GAA (0.46) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL1541994 0.82 GAA (0.46) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL1391316 0.82 GAA (0.57) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL1542314 0.82 GAA (0.46) MEN1KMT2APDE4APDE4BPDE4C

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 MEN1 4050/4885KMT2A 1168/4885PDE4A 3092/4885

“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.