SCHEMBL6573779

SCHEMBL6573779

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.40
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 2/20 0.35
GHSR Q92847 2/20 0.35
FLT3 P36888 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
PIK3CD O00329 1/20 0.32
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
HCK P08631 1/20 0.32
SRC P12931 1/20 0.32
KDR P35968 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32

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
SCHEMBL19781563 0.85 POLB (0.50) PKMKMT2APOLBGAACYP1A2
SCHEMBL6575552 0.82 MEN1 (0.40) KMT2APOLBGAA
SCHEMBL28035017 0.81 PKM (0.40) PKMKMT2APOLBL3MBTL1GAA
Ethane SCHEMBL11166229 0.78 ACACB (0.40) PKMKMT2APOLBNPC1RAB9A
SCHEMBL349208 0.77 LMNA (0.42) PKMKMT2APOLBL3MBTL1GAA
SCHEMBL5226607 0.76 CA1 (0.48) PKMPOLBGAACYP1A2NPC1
SCHEMBL9921642 0.76 ALDH1A1 (0.41) KMT2APOLB
SCHEMBL11730852 0.75 MAOB (0.54) L3MBTL1CYP1A2CYP2C19
SCHEMBL6574277 0.75 GAA (0.44) PKMKMT2APOLBGAARAB9A
SCHEMBL11156880 0.75 L3MBTL1 (0.45) POLBL3MBTL1GAACYP1A2CYP2C19

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 PKM 3359/4885KMT2A 1168/4885POLB 4416/4885

“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.