SCHEMBL8195477

SCHEMBL8195477

O=C(O)c1nc2sc3c(c2c(=O)[nH]1)CCC(c1ccccc1)C3

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
BRD4 O60885 4/20 0.47
MAPT P10636 3/20 0.45
ALDH1A1 P00352 4/20 0.44
POLB P06746 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
MCL1 Q07820 1/20 0.44
HSD17B10 Q99714 3/20 0.43
GAA P10253 2/20 0.43
TSHR P16473 2/20 0.43
HPGD P15428 2/20 0.43
HCAR2 Q8TDS4 1/20 0.43
TP53 P04637 1/20 0.42
FGFR1 P11362 1/20 0.42
MAPK1 P28482 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
SCHEMBL8203493 0.87 KDM4E (0.71) KDM4EBRD4MAPTALDH1A1POLB
SCHEMBL11480037 0.76 KDM4E (0.54) KDM4EBRD4MAPTALDH1A1POLB
SCHEMBL8190292 0.76 ALDH1A1 (0.65) KDM4EBRD4MAPTALDH1A1POLB
SCHEMBL4383240 0.76 ALDH1A1 (0.69) KDM4EBRD4MAPTALDH1A1POLB
SCHEMBL8197633 0.75 MMP8 (0.75) KDM4EALDH1A1L3MBTL1TSHR
SCHEMBL11477883 0.74 ALDH1A1 (0.67) KDM4EBRD4MAPTALDH1A1POLB
SCHEMBL8189548 0.74 ALDH1A1 (0.67) KDM4EBRD4MAPTALDH1A1POLB
Water SCHEMBL11479741 0.74 ALDH1A1 (0.67) KDM4EBRD4MAPTALDH1A1POLB
SCHEMBL8202037 0.74 ALDH1A1 (0.67) KDM4EBRD4MAPTALDH1A1POLB
SCHEMBL8189486 0.73 ALDH1A1 (0.53) KDM4EBRD4MAPTALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-09-30 US disclosed
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-09-30 US disclosed
US-7749996-B2 Heterotricyclic metalloprotease inhibitors Alantos Pharmaceutical Holdings, Inc. (US) 2010-07-06 US disclosed
US-7749996-B2 Heterotricyclic metalloprotease inhibitors Alantos Pharmaceutical Holdings, Inc. (US) 2010-07-06 US disclosed
US-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-04-08 US disclosed
US-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-04-08 US disclosed
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-08-28 US disclosed
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-08-28 US disclosed
WO-2008063667-A1 HETEROTRICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 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 (3 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-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors MMP13, MMP3, TIMP3 KDM4E 1443/4885BRD4 545/4885MAPT 3878/4885
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors MMP13, MMP3, TIMP3 KDM4E 1443/4885BRD4 545/4885MAPT 3878/4885
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 KDM4E 1443/4885BRD4 545/4885MAPT 3878/4885

“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.