SCHEMBL4882731

SCHEMBL4882731

CN1C(=O)Cc2cc(C(=O)CCl)ccc21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.55
MAPT P10636 5/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
TTR P02766 1/20 0.47
TRIM24 O15164 1/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
PKM P14618 2/20 0.43
CASP2 P42575 1/20 0.42
HPGD P15428 1/20 0.42
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41

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
SCHEMBL8524330 0.87 MAPT (0.52) SMYD3MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL19357099 0.85 SMYD3 (0.52) SMYD3MAPTALDH1A1TRIM24GAA
Hydrochloric Acid SCHEMBL10855737 0.84 SMYD3 (0.54) SMYD3MAPTALDH1A1TRIM24GAA
SCHEMBL11319049 0.84 SMYD3 (0.51) SMYD3ALDH1A1TRIM24GAALMNA
SCHEMBL4894332 0.83 BRD4 (0.48) SMYD3MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL8483191 0.82 ALDH1A1 (0.44) SMYD3MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL19357202 0.81 MAPT (0.60) SMYD3MAPTALDH1A1NPC1TRIM24
SCHEMBL31348187 0.81 SMYD3 (0.60) SMYD3MAPTALDH1A1TRIM24GAA
SCHEMBL1965892 0.81 SMYD3 (0.60) SMYD3MAPTALDH1A1TRIM24GAA
SCHEMBL3660693 0.80 SMYD3 (0.59) SMYD3MAPTALDH1A1SMN1; SMN2TRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492785-B9 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2009-10-21 EP disclosed
EP-1492785-B1 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
US-20080269246-A1 METHOD FOR TREATING PEDIATRIC BIPOLAR DISORDER PFIZER INC 2008-10-30 US disclosed
EP-1558608-A1 OXINDOLE SUBSTITUTED PIPERAZINE DERIVATIVES Warner-Lambert Company LLC (US) 2005-08-03 EP disclosed
US-20040142933-A1 Oxindole substituted piperazine derivatives FORREST GEORGE WILLIAM (CA) 2004-07-22 US disclosed
WO-2004037820-A1 OXINDOLE SUBSTITUTED PIPERAZINE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2004-05-06 WO disclosed
EP-0985414-B1 Medicament for the treatment of glaucoma and ischemic retinopathy PFIZER PROD INC (US) 2003-08-27 EP disclosed
US-6387904-B2 COMPOUND CONTAINING PIPERAZINE RING PFIZER INC 2002-05-14 US disclosed
EP-0281309-B1 PIPERAZINYL-HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 1991-12-27 EP disclosed
EP-0281309-A1 Piperazinyl-heterocyclic compounds PFIZER INC. (US) 1988-09-07 EP 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 (2 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-20040142933-A1 Oxindole substituted piperazine derivatives OPRK1, OPRD1, CNR1 SMYD3 2709/4885MAPT 611/4885ALDH1A1 181/4885
US-20080269246-A1 METHOD FOR TREATING PEDIATRIC BIPOLAR DISORDER GABBR1, GABRR1, GABBR2 SMYD3 674/4885MAPT 321/4885ALDH1A1 1399/4885

“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.