SCHEMBL1184871

SCHEMBL1184871

CCOC(=O)C1CC(=O)Nc2cc(I)ccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
GAA P10253 3/20 0.53
KDM4E B2RXH2 3/20 0.53
MAPT P10636 2/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
TDP2 O95551 1/20 0.40
ADORA2B P29275 1/20 0.38
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL1184356 0.91 GAA (0.53) ALDH1A1GAAKDM4EMAPTHPGD
SCHEMBL2254488 0.86 PLK1 (0.37) ALDH1A1GAAKDM4EMAPTHPGD
SCHEMBL1184927 0.83 ALDH1A1 (0.55) ALDH1A1GAAKDM4EMAPTHPGD
SCHEMBL2258919 0.81 ALDH1A1 (0.49) ALDH1A1MAPTHPGDHSD17B10KMT2A
SCHEMBL1185696 0.79 MAPT (0.53) ALDH1A1GAAKDM4EMAPTHPGD
SCHEMBL1185078 0.79 MEN1 (0.53) ALDH1A1GAAKDM4EMAPTHPGD
SCHEMBL12217647 0.75 BRD4 (0.43) ALDH1A1GAAKDM4EMAPTHPGD
SCHEMBL31145892 0.74 ALDH1A1 (0.47) ALDH1A1GAAKDM4EMAPTHPGD
SCHEMBL1184778 0.72 CES1 (0.40)
SCHEMBL1184763 0.70 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799684-B1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARM INC (US) 2014-12-03 EP disclosed
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-7935694-B2 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-03 US disclosed
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
US-7459448-B2 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-12-02 US disclosed
US-20060100194-A1 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. 2006-05-11 US 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 (4 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-20060100194-A1 Lactam compounds useful as protein kinase inhibitors PRKCI, PIK3CA, AKT1 ALDH1A1 4635/4885GAA 974/4885KDM4E 1371/4885
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 ALDH1A1 4635/4885GAA 974/4885KDM4E 1371/4885
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors PRKCI, PIK3CA, AKT1 ALDH1A1 4635/4885GAA 974/4885KDM4E 1371/4885
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 ALDH1A1 4635/4885GAA 974/4885KDM4E 1371/4885

“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.