SCHEMBL64544

SCHEMBL64544

CN(C)C(=O)C(=O)NC12CCC(CC1)Cn1c2nc(C(=O)NCc2ccccc2F)c(O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
KCNH2 Q12809 1/20 0.37
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.34
BRD4 O60885 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
TP53 P04637 1/20 0.33
PDE10A Q9Y233 1/20 0.33
HSD17B13 Q7Z5P4 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
METAP2 P50579 1/20 0.33

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
SCHEMBL64282 0.91 CYP2C9 (0.39) CYP2C9KCNH2LMNAHPGDALDH1A1
SCHEMBL52871 0.91 CYP2C9 (0.45) CYP2C9KCNH2
SCHEMBL63536 0.90 CNR1 (0.40) CYP2C9HPGDKMT2AHSD17B13MEN1
SCHEMBL64273 0.89 CYP2C9 (0.39) CYP2C9LMNAHPGDKDM4EALDH1A1
SCHEMBL63942 0.89 LIPG (0.39) CYP2C9KCNH2
SCHEMBL53142 0.89 CYP2C9 (0.45) CYP2C9KCNH2KDM4EALDH1A1KMT2A
SCHEMBL63936 0.88 HSD17B13 (0.39) CYP2C9BRD4HSD17B13
SCHEMBL52664 0.87 CYP2C9 (0.55) CYP2C9KCNH2LMNAKMT2AMEN1
SCHEMBL52400 0.87 CYP2C9 (0.39) CYP2C9KCNH2
SCHEMBL52513 0.87 CYP2C9 (0.45) CYP2C9KCNH2SMN1; 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 5 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
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 CYP2C9 602/4885KCNH2 3969/4885LMNA 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.