SCHEMBL64360

SCHEMBL64360

CN(C)C(=O)C(=O)NC12CCC(Cn3c1nc(C(=O)NCc1ccc(F)cc1)c(OCc1ccccc1)c3=O)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
KCNH2 Q12809 1/20 0.36
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
THRB P10828 1/20 0.33
TP53 P04637 1/20 0.33
APP P05067 1/20 0.33
ALDH1A1 P00352 2/20 0.33
RCE1 Q9Y256 1/20 0.33
CHRM4 P08173 1/20 0.33
HPGD P15428 1/20 0.32
SENP5 Q96HI0 1/20 0.32
SENP2 Q9HC62 1/20 0.32

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
SCHEMBL9905158 0.88 CYP2C9 (0.34) CYP2C9L3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL62840 0.88 CYP2C9 (0.41) CYP2C9LMNASMN1; SMN2KCNH2GAA
SCHEMBL63588 0.86 CYP2C9 (0.54) CYP2C9L3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL64365 0.86 MMP13 (0.34) CYP2C9SMN1; SMN2SENP5SENP2SENP1
SCHEMBL419920 0.83 CYP2C9 (0.42) CYP2C9L3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL61887 0.82 CYP2C9 (0.54) CYP2C9L3MBTL1MAPTSMN1; SMN2KCNH2
SCHEMBL52664 0.82 CYP2C9 (0.55) CYP2C9L3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL53142 0.80 CYP2C9 (0.45) CYP2C9KCNH2GAANPSR1NPC1
SCHEMBL62481 0.80 KCNH2 (0.42) CYP2C9L3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL62845 0.80 CYP2C9 (0.55) CYP2C9L3MBTL1LMNAMAPTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG CYP2C9 602/4885L3MBTL1 2276/4885LMNA 1838/4885

“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.