SCHEMBL4778100

SCHEMBL4778100

COCCCNC(=O)c1cnn2c(C)c(Cc3cccc(OC)c3)c(C)nc12

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.59
ALDH1A1 P00352 6/20 0.59
HPGD P15428 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
HSD17B10 Q99714 3/20 0.58
MAPK1 P28482 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
LMNA P02545 11/20 0.56
TP53 P04637 10/20 0.56
MAPT P10636 6/20 0.56
HTT P42858 3/20 0.56
NPSR1 Q6W5P4 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
USP2 O75604 1/20 0.56
TSHR P16473 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
SCHEMBL4794039 0.95 KDM4E (0.61) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4781567 0.93 KDM4E (0.56) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4776340 0.93 KDM4E (0.57) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4777382 0.90 KDM4E (0.60) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4780215 0.90 KDM4E (0.60) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4796244 0.90 KDM4E (0.74) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4725398 0.89 ALDH1A1 (0.73) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4794797 0.88 KDM4E (0.57) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4781535 0.87 KDM4E (0.58) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4775836 0.86 ALDH1A1 (0.61) 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.