Sugi Predict

Sugi Predict / Compounds / SCHEMBL12375855

SCHEMBL12375855

SCHEMBL12375855

[C-]#[N+]c1cc(C)c(-c2ccc(C)cc2)[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.33
▸ PARP1 P09874 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ TNKS O95271 3/20 0.33
▸ TNKS2 Q9H2K2 3/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CTSV O60911 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 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
SCHEMBL28138869 0.66 MEN1 (0.44) BRD4POLBKDM4EPARP1RAB9A
SCHEMBL29463393 0.65 HDAC8 (0.42) POLBKDM4ERAB9AHPGDKMT2A
SCHEMBL809762 0.65 HDAC8 (0.42) POLBKDM4ERAB9AHPGDKMT2A
SCHEMBL12375859 0.65 L3MBTL1 (0.42) KDM4ERAB9AHPGDKMT2AALDH1A1
SCHEMBL14867276 0.65 KDM4E (0.43) POLBKDM4EPARP1RAB9AHPGD
SCHEMBL14867262 0.62 KDM4E (0.44) POLBKDM4EPARP1RAB9AHPGD
SCHEMBL12211637 0.62 PDE3B (0.61) KDM4EHPGDALDH1A1LMNAGAA
SCHEMBL31047695 0.62 PARP1 (0.49) PARP1RAB9AHPGDTNKSTNKS2
SCHEMBL14867256 0.62 KDM4E (0.44) POLBKDM4EPARP1RAB9AHPGD
SCHEMBL14867316 0.62 SERPINE1 (0.53) KDM4EPARP1RAB9AHPGDTNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008317-B2 Inhibitors of akt activtiy MERCK SHARP & DOHME CORP. (US) 2011-08-30 — — US disclosed
US-20100222321-A1 Inhibitors of akt activtiy MERCK SHARP & DOHME LLC 2010-09-02 — — US disclosed
US-7705014-B2 Inhibitors of AKT activity MERCK SHARP & DOHME CORP. (US) 2010-04-27 — — US disclosed
US-7589068-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2009-09-15 — — US disclosed
US-20090062327-A1 Inhibitors of AKT Activity MERCK SHARP & DOHME CORP. 2009-03-05 — — US disclosed
US-20080009507-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-01-10 — — 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 (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-20100222321-A1 Inhibitors of akt activtiy PIK3CA, PIK3CD, INPP5D BRD4 1401/4885POLB 1333/4885KDM4E 1406/4885
US-20090062327-A1 Inhibitors of AKT Activity PIK3CD, PIK3CA, PIK3CG BRD4 2126/4885POLB 2275/4885KDM4E 1661/4885
US-20080009507-A1 Inhibitors of Akt Activity PIK3CD, PIK3CA, PIK3CG BRD4 2126/4885POLB 2275/4885KDM4E 1661/4885

“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.