SCHEMBL4725657

SCHEMBL4725657

Cc1nc2c(C(=O)O)cnn2c(C)c1Cc1ccc(Br)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.82
KDM4E B2RXH2 9/20 0.61
ALDH1A1 P00352 9/20 0.61
HPGD P15428 7/20 0.61
SMN1; SMN2 Q16637 3/20 0.59
TSHR P16473 2/20 0.59
GAA P10253 1/20 0.59
LMNA P02545 6/20 0.59
TP53 P04637 5/20 0.59
MAPT P10636 3/20 0.58
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MEN1 O00255 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
RUVBL1 Q9Y265 3/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL4941774 0.89 HSD17B10 (0.83) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4935332 0.88 HSD17B10 (0.82) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4933302 0.86 HSD17B10 (0.68) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4778389 0.84 ALDH1A1 (0.63) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4778302 0.82 HSD17B10 (0.73) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4782056 0.82 HSD17B10 (0.73) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4782331 0.81 HSD17B10 (0.74) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4725435 0.81 HSD17B10 (0.70) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4776468 0.80 HSD17B10 (0.69) HSD17B10KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4943540 0.79 KDM4E (0.72) 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.