SCHEMBL87295

SCHEMBL87295

CN(Cc1ccccc1)CC1CCc2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.51
CYP2C9 P11712 1/20 0.51
MAPT P10636 3/20 0.43
TP53 P04637 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.40
SCD O00767 1/20 0.39
HDAC1 Q13547 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
METTL3 Q86U44 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL87132 0.85 CYP2C9 (0.60) KCNH2CYP2C9MAPTTP53SMN1; SMN2
SCHEMBL87844 0.83 KCNH2 (0.52) KCNH2CYP2C9MAPTTP53SMN1; SMN2
SCHEMBL87322 0.83 KCNH2 (0.51) KCNH2CYP2C9MAPTTP53SMN1; SMN2
SCHEMBL13691708 0.83 KCNH2 (0.51) KCNH2CYP2C9MAPTTP53SMN1; SMN2
SCHEMBL87854 0.82 CYP2C9 (0.58) KCNH2CYP2C9MAPTTP53SMN1; SMN2
SCHEMBL13691809 0.82 KCNH2 (0.45) KCNH2CYP2C9MAPTTP53SMN1; SMN2
SCHEMBL13691813 0.81 CYP2C9 (0.51) KCNH2CYP2C9MAPTTP53SMN1; SMN2
SCHEMBL2208050 0.81 KCNH2 (0.56) KCNH2CYP2C9TP53SMN1; SMN2ALDH1A1
SCHEMBL2531998 0.81 TP53 (0.51) KCNH2CYP2C9MAPTTP53SMN1; SMN2
SCHEMBL13691714 0.80 CYP2C9 (0.52) KCNH2CYP2C9MAPTTP53SMN1; 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 3 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
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 WO 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 KCNH2 3969/4885CYP2C9 602/4885MAPT 2585/4885

“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.