SCHEMBL4795032

SCHEMBL4795032

Cc1nc2c(C(=O)NCCC3OCCO3)cnn2c(C)c1Cc1cccc(F)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.65
ALDH1A1 P00352 8/20 0.65
HPGD P15428 7/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
HSD17B10 Q99714 3/20 0.65
MAPK1 P28482 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
LMNA P02545 11/20 0.59
TP53 P04637 10/20 0.59
MAPT P10636 5/20 0.56
NPSR1 Q6W5P4 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
HTT P42858 3/20 0.56
TSHR P16473 2/20 0.56
USP2 O75604 1/20 0.56
ALOX12 P18054 1/20 0.56

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
SCHEMBL4940607 0.90 KDM4E (0.64) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4779338 0.86 KDM4E (0.72) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4793664 0.86 KDM4E (0.78) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4939020 0.85 ALDH1A1 (0.62) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4796244 0.84 KDM4E (0.74) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4781573 0.82 KDM4E (0.68) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4778265 0.81 KDM4E (0.67) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4941861 0.81 KDM4E (0.81) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4780599 0.77 LMNA (0.70) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4778108 0.76 LMNA (0.59) 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 4 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
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

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.