SCHEMBL6572215

SCHEMBL6572215

CN(CC#N)c1ccc(CC#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAOB P27338 1/20 0.40
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
PKM P14618 2/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TNF P01375 1/20 0.31
ENPP2 Q13822 1/20 0.31

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
SCHEMBL2774144 0.81 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL6675221 0.79 GLA (0.47) ALDH1A1KMT2AMEN1SMN1; SMN2MAOB
SCHEMBL6671505 0.78 PYCR1 (0.39) ALDH1A1KMT2AMEN1MAOBKDM4E
SCHEMBL5148459 0.78 APP (0.39) ALDH1A1MAOBKDM4EL3MBTL1MAPK1
SCHEMBL9174261 0.78 CYP2A6 (0.43) ALDH1A1KMT2AKDM4ETSHRLMNA
SCHEMBL304704 0.77 MAOB (0.47) ALDH1A1KMT2AMEN1MAOBCYP3A4
SCHEMBL6553719 0.75 MAOB (0.34) MAOBGLA
SCHEMBL2154504 0.75 KMT2A (0.47) KMT2AMEN1TDP1KDM4EL3MBTL1
SCHEMBL6078888 0.74 KIF11 (0.41) ALDH1A1KMT2AMEN1SMN1; SMN2MAOB
SCHEMBL6671917 0.74 RPS6KA2 (0.44) ALDH1A1SMN1; SMN2MAOBKDM4ECYP3A4

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 365/4885KMT2A 1168/4885MEN1 4050/4885

“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.