SCHEMBL4809503

SCHEMBL4809503

Nc1nc(C(F)(F)F)c(C(=O)Nc2ccccc2C2CCCC2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 4/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RCE1 Q9Y256 1/20 0.38
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 3/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL3152628 0.99 HSD17B10 (0.42) HSD17B10ALDH1A1GAAMAPK1MEN1
SCHEMBL4815896 0.87 MAPT (0.47) HSD17B10ALDH1A1GAAMEN1KMT2A
SCHEMBL6279991 0.87 HSD17B10 (0.43) HSD17B10ALDH1A1MEN1KMT2ANPC1
SCHEMBL3147087 0.86 MAPT (0.46) HSD17B10ALDH1A1GAAMEN1KMT2A
SCHEMBL9263210 0.74 ALDH1A1 (0.43) ALDH1A1GAAMAPK1MEN1KMT2A
SCHEMBL13980917 0.72 CNR1 (0.43) HSD17B10ALDH1A1GAAMEN1KMT2A
SCHEMBL8785889 0.71 IRAK4 (0.52) POLBLMNAIRAK4
SCHEMBL3146828 0.71 CNR1 (0.43) HSD17B10ALDH1A1GAAMEN1KMT2A
SCHEMBL13478938 0.71 CNR1 (0.43) HSD17B10ALDH1A1GAAMEN1KMT2A
SCHEMBL21820809 0.70 MEN1 (0.48) ALDH1A1GAAMEN1KMT2ANPC1

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-7470793-B2 Thiazol-(bi)cycloalkyl-carboxanilides BAYER CROPSCIENCE AG (DE) 2008-12-30 US disclosed
US-20060155122-A1 Thiazol-(bi)cycloalkyl-carboxanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2006-07-13 US 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-20060155122-A1 Thiazol-(bi)cycloalkyl-carboxanilides MRPL21, Q6ZSR9, QPCT HSD17B10 1162/4885ALDH1A1 502/4885GAA 263/4885

“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.