SCHEMBL4553078

SCHEMBL4553078

CN1CC(c2ccccc2)n2nc(-c3nnc(Cc4ccc(F)cc4)s3)c(O)c2C1=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 3/20 0.39
POLB P06746 3/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
ADRA1B P35368 1/20 0.34
DGAT1 O75907 1/20 0.33
RIPK1 Q13546 3/20 0.33
APLNR P35414 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31

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
SCHEMBL4274008 1.00 HSD17B2 (0.39) HSD17B2POLBHDAC6ADRA1AHRH1
SCHEMBL4275512 0.85 SMN1; SMN2 (0.35) HSD17B2POLBADRA1AHRH1ADRA1B
SCHEMBL13572503 0.85 SMN1; SMN2 (0.35) HSD17B2POLBADRA1AHRH1ADRA1B
SCHEMBL13573331 0.84 HSD17B2 (0.33) HSD17B2POLBADRA1AHRH1ADRA1B
SCHEMBL4552948 0.80 MAPT (0.42) HSD17B2POLBHDAC6APLNR
SCHEMBL4277845 0.80 MAPT (0.42) HSD17B2POLBHDAC6APLNR
SCHEMBL4052973 0.73 SMN1; SMN2 (0.50) POLBMEN1KMT2A
SCHEMBL13572505 0.72 ALOX12 (0.38) HDAC6APLNRKMT2A
SCHEMBL4272854 0.70 POLB (0.36) POLBHDAC6ADRA1AHRH1ADRA1B
SCHEMBL4198917 0.69 RIPK1 (0.40) POLBRIPK1KMT2A

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-20090312335-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2009-12-17 US disclosed
US-20090312335-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2009-12-17 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-20090312335-A1 Hiv Integrase Inhibitors RECQL, TYMP, POLR2H HSD17B2 507/4885POLB 19/4885HDAC6 3814/4885

“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.