SCHEMBL4986908

SCHEMBL4986908

CC(=O)OCCCn1cc(CC#N)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MCL1 Q07820 5/20 0.47
▸ CDC25A P30304 1/20 0.46
▸ TSHR P16473 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ ICMT O60725 1/20 0.46
▸ HTT P42858 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CREBBP Q92793 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ RAD52 P43351 1/20 0.42

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
SCHEMBL22152005 0.84 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MCL1CNR1CNR2
SCHEMBL14041602 0.79 ICMT (0.70) MCL1CDC25AICMT
SCHEMBL2020146 0.77 MAPT (0.43) SMN1; SMN2ALDH1A1MCL1CDC25ATSHR
SCHEMBL419619 0.76 MAPT (0.70) SMN1; SMN2ALDH1A1TSHRKMT2AMAPT
SCHEMBL28247078 0.75 PRMT5 (0.48) SMN1; SMN2ALDH1A1TSHRKMT2AUSP2
SCHEMBL444328 0.74 STAT3 (0.65) ALDH1A1MCL1KMT2AMAPTMEN1
SCHEMBL10244867 0.73 CYP19A1 (0.50) SMN1; SMN2ALDH1A1TSHRKMT2AUSP2
SCHEMBL8803444 0.72 CREBBP (0.47) SMN1; SMN2ALDH1A1KMT2AHTTMAPT
SCHEMBL12475231 0.72 CDC25A (0.42) SMN1; SMN2ALDH1A1CDC25ATSHRKMT2A
SCHEMBL2074005 0.71 CNR2 (0.75) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7405305-B2 Pyrrole-2, 5dione derivatives and their used as GSK-3 inhibitors ELI LILLY AND COMPANY (US) 2008-07-29 — — US disclosed
EP-1487822-B1 PYRROLE-2,5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS LILLY CO ELI (US) 2007-08-01 — — EP disclosed
US-20050288321-A1 Kinase inhibitors ELI LILLY AND COMPANY 2005-12-29 — — US disclosed
CN-1639152-A Pyrrole-2, 5-dione derivatives and their use as GSK-3 inhibitors LILLY CO ELI (US) 2005-07-13 — — CN 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-20050288321-A1 Kinase inhibitors ABL1, MAP3K20, MAP3K19 SMN1; SMN2 4318/4885ALDH1A1 3292/4885MCL1 446/4885

“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.

Send feedback