SCHEMBL4552948

SCHEMBL4552948

CN1CC(c2ccccc2)n2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c2C1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
RAB9A P51151 6/20 0.38
HPGD P15428 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
TP53 P04637 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
APLNR P35414 3/20 0.37
HSD17B2 P37059 2/20 0.37
NPC1 O15118 5/20 0.37
THRB P10828 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL4277845 1.00 MAPT (0.42) MAPTRAB9AHPGDSMN1; SMN2TP53
SCHEMBL13572505 0.92 ALOX12 (0.38) MAPTRAB9AHPGDSMN1; SMN2L3MBTL1
SCHEMBL13572504 0.85 MAPT (0.39) MAPTRAB9AHPGDSMN1; SMN2TP53
SCHEMBL4277137 0.85 MAPT (0.39) MAPTRAB9AHPGDSMN1; SMN2TP53
SCHEMBL13573333 0.84 MAPT (0.38) MAPTRAB9AHPGDSMN1; SMN2TP53
SCHEMBL4274008 0.80 HSD17B2 (0.39) APLNRHSD17B2HDAC6POLB
SCHEMBL4553078 0.80 HSD17B2 (0.39) APLNRHSD17B2HDAC6POLB
SCHEMBL4052973 0.73 SMN1; SMN2 (0.50) MAPTSMN1; SMN2TP53L3MBTL1THRB
SCHEMBL4280987 0.70 NPC1 (0.41) MAPTRAB9AHPGDSMN1; SMN2TP53
SCHEMBL12266074 0.69 NPC1 (0.46) MAPTRAB9AHPGDSMN1; SMN2TP53

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 MAPT 2808/4885RAB9A 2531/4885HPGD 460/4885

“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.