SCHEMBL64365

SCHEMBL64365

Cc1cc(CNC(=O)c2nc3n(c(=O)c2OCc2ccccc2)CCC2CCC3(NC(=O)C(=O)N(C)C)C2)ccc1F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 10/20 0.34
MMP10 P09238 5/20 0.34
MMP8 P22894 5/20 0.34
CYP2C9 P11712 1/20 0.34
PDE5A O76074 4/20 0.32
PPARG P37231 1/20 0.32
SENP5 Q96HI0 2/20 0.32
SENP2 Q9HC62 2/20 0.32
SENP1 Q9P0U3 2/20 0.32
MMP9 P14780 1/20 0.31
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM1A O60341 1/20 0.30

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
SCHEMBL63639 0.87 CYP2C9 (0.45) MMP13MMP10MMP8CYP2C9MMP9
SCHEMBL62850 0.87 CYP2C9 (0.45) MMP13MMP10MMP8CYP2C9MMP9
SCHEMBL63663 0.87 CYP2C9 (0.45) MMP13MMP10MMP8CYP2C9MMP9
SCHEMBL62840 0.87 CYP2C9 (0.41) CYP2C9PDE5ASMN1; SMN2
SCHEMBL64360 0.86 CYP2C9 (0.40) CYP2C9SENP5SENP2SENP1SMN1; SMN2
SCHEMBL14212563 0.85 MMP13 (0.35) MMP13MMP10MMP8CYP2C9PDE5A
SCHEMBL14212564 0.84 MMP13 (0.34) MMP13MMP10MMP8CYP2C9PDE5A
SCHEMBL14234487 0.82 MAPK1 (0.33) MMP13MMP10MMP8CYP2C9
SCHEMBL62502 0.82 CYP2C9 (0.46) MMP13CYP2C9
SCHEMBL63992 0.81 CYP2C9 (0.44) MMP13MMP10MMP8CYP2C9MMP9

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-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

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 MMP13 4137/4885MMP10 2158/4885MMP8 2799/4885

“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.