SCHEMBL4776338

SCHEMBL4776338

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

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.64
RUVBL1 Q9Y265 1/20 0.63
KDM4E B2RXH2 11/20 0.62
ALDH1A1 P00352 9/20 0.62
HPGD P15428 8/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
MAPK1 P28482 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
LMNA P02545 8/20 0.55
TP53 P04637 5/20 0.55
MAPT P10636 6/20 0.54
TSHR P16473 3/20 0.52
HTT P42858 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
USP2 O75604 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
ALOX12 P18054 1/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL22796771 0.90 RUVBL1 (0.52) HSD17B10RUVBL1KDM4EALDH1A1HPGD
SCHEMBL4941861 0.86 KDM4E (0.81) HSD17B10RUVBL1KDM4EALDH1A1HPGD
SCHEMBL4776447 0.86 RUVBL1 (0.59) HSD17B10RUVBL1KDM4EALDH1A1HPGD
SCHEMBL4782331 0.86 HSD17B10 (0.74) HSD17B10RUVBL1KDM4EALDH1A1HPGD
SCHEMBL4725426 0.85 RUVBL1 (0.57) HSD17B10RUVBL1KDM4EALDH1A1HPGD
SCHEMBL4781547 0.85 KDM4E (0.64) HSD17B10RUVBL1KDM4EALDH1A1HPGD
SCHEMBL4941774 0.84 HSD17B10 (0.83) HSD17B10RUVBL1KDM4EALDH1A1HPGD
SCHEMBL4943540 0.84 KDM4E (0.72) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4933302 0.84 HSD17B10 (0.68) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4781535 0.84 KDM4E (0.58) HSD17B10RUVBL1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HSD17B10 47/4885RUVBL1 440/4885KDM4E 3813/4885

“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.