SCHEMBL4778096

SCHEMBL4778096

Cc1nc2c(C(=O)O)cnn2c(C)c1Cc1cccc(OCc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.62
KDM4E B2RXH2 10/20 0.60
ALDH1A1 P00352 9/20 0.60
HPGD P15428 7/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
MAPK1 P28482 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
LMNA P02545 8/20 0.55
MAPT P10636 6/20 0.55
TP53 P04637 5/20 0.55
TSHR P16473 4/20 0.52
USP2 O75604 2/20 0.52
HTT P42858 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
NPSR1 Q6W5P4 2/20 0.51
ALOX12 P18054 1/20 0.51
GAA P10253 1/20 0.50
NR4A2 P43354 1/20 0.49
ALKBH1 Q13686 1/20 0.47

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
SCHEMBL4941534 0.89 KDM4E (0.66) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4781826 0.88 KDM4E (0.59) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4781547 0.85 KDM4E (0.64) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4941774 0.85 HSD17B10 (0.83) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4782331 0.84 HSD17B10 (0.74) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4782056 0.83 HSD17B10 (0.73) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4943540 0.82 KDM4E (0.72) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4941861 0.82 KDM4E (0.81) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4933302 0.82 HSD17B10 (0.68) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4776338 0.80 HSD17B10 (0.64) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2

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 47/4885KDM4E 3813/4885ALDH1A1 858/4885

“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.