SCHEMBL4779622

SCHEMBL4779622

Cc1nc2c(C(=O)NCCC(=O)NCCO)cnn2c(C)c1Cc1cccc(OC(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 5/20 0.55
HPGD P15428 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
HSD17B10 Q99714 2/20 0.55
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
LMNA P02545 11/20 0.51
TP53 P04637 11/20 0.51
MAPT P10636 5/20 0.51
MEN1 O00255 2/20 0.51
HTT P42858 2/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
USP2 O75604 1/20 0.51
TSHR P16473 1/20 0.51
ALOX12 P18054 1/20 0.51
GPR52 Q9Y2T5 1/20 0.51

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
SCHEMBL4797074 0.94 KDM4E (0.56) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4781192 0.91 KDM4E (0.57) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4781351 0.91 KDM4E (0.59) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4775836 0.90 ALDH1A1 (0.61) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4725438 0.85 LMNA (0.55) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4778294 0.85 KDM4E (0.53) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4781547 0.84 KDM4E (0.64) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4778108 0.81 LMNA (0.59) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4794039 0.80 KDM4E (0.61) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4725426 0.79 RUVBL1 (0.57) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10

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
US-20080221129-A1 New compounds BIOVITRUM AB (PUBL) (SE) 2008-09-11 US disclosed
EP-1934178-A2 SUBSTITUTED PROPYLAMINE DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2008-06-25 EP 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-2007041257-A2 SUBSTITUTED PROPYLAMINE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2007-04-12 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.