SCHEMBL4779873

SCHEMBL4779873

Cc1ccccc1Cc1c(C)nc2c(C(=O)NCC3CCCO3)cnn2c1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.64
ALDH1A1 P00352 11/20 0.64
HPGD P15428 10/20 0.64
HSD17B10 Q99714 8/20 0.64
LMNA P02545 7/20 0.64
TSHR P16473 7/20 0.64
TP53 P04637 6/20 0.64
NPSR1 Q6W5P4 5/20 0.64
MAPT P10636 5/20 0.64
POLB P06746 1/20 0.64
MAPK1 P28482 1/20 0.64
KMT2A Q03164 3/20 0.62
HTT P42858 5/20 0.50
CASP1 P29466 3/20 0.50
CASP7 P55210 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 2/20 0.50
GAA P10253 1/20 0.50
USP2 O75604 1/20 0.49
NPC1 O15118 1/20 0.49

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
SCHEMBL4778232 0.93 TP53 (0.61) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL4725736 0.90 LMNA (0.62) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL4796199 0.90 HPGD (0.64) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL4940751 0.87 HSD17B10 (0.60) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL4940985 0.86 ALDH1A1 (0.64) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL4780930 0.85 LMNA (0.64) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL4795515 0.85 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL4725441 0.84 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL4939020 0.84 ALDH1A1 (0.62) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL4777718 0.84 ALDH1A1 (0.54) KDM4EALDH1A1HPGDHSD17B10LMNA

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-20080221129-A1 New compounds BIOVITRUM AB (PUBL) (SE) 2008-09-11 US claimed
WO-2008003753-A1 PYRAZOLO [1,5-A] PYRIMIDINE ANALOGS FOR USE AS INHIBITORS OF STEAROYL-COA DESATURASE (SCD) ACTIVITY BIOVITRUM AB (PUBL) (SE) 2008-01-10 WO claimed
EP-1999119-A2 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME Abbott Laboratories (US) 2008-12-10 EP disclosed
US-20080221129-A1 New compounds BIOVITRUM AB (PUBL) (SE) 2008-09-11 US disclosed
WO-2008003753-A1 PYRAZOLO [1,5-A] PYRIMIDINE ANALOGS FOR USE AS INHIBITORS OF STEAROYL-COA DESATURASE (SCD) ACTIVITY BIOVITRUM AB (PUBL) (SE) 2008-01-10 WO disclosed
WO-2007095602-A2 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBOTT LABORATORIES (US) 2007-08-23 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 (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-20080221129-A1 New compounds SCD, SCD5, FASN KDM4E 3813/4885ALDH1A1 858/4885HPGD 279/4885

“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.