SCHEMBL5546749

SCHEMBL5546749

CC(C)C(CO)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCNC(=O)N2CCOCC2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CNR1 P21554 8/20 0.40
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL5546560 0.93 CNR2 (0.43) CNR2MEN1KMT2ASMN1; SMN2CNR1
SCHEMBL15163511 0.88 CNR2 (0.44) CNR2MEN1KMT2ASMN1; SMN2CNR1
SCHEMBL5545519 0.88 CNR2 (0.42) CNR2MEN1KMT2ACNR1
SCHEMBL5538810 0.86 CNR2 (0.49) CNR2MEN1KMT2ASMN1; SMN2CNR1
SCHEMBL5543214 0.86 CNR2 (0.56) CNR2MEN1KMT2ASMN1; SMN2CNR1
SCHEMBL6061368 0.86 MEN1 (0.43) CNR2MEN1KMT2ASMN1; SMN2CNR1
SCHEMBL5545535 0.86 CNR2 (0.40) CNR2MEN1KMT2ACNR1
SCHEMBL5545412 0.85 CNR2 (0.46) CNR2MEN1KMT2ASMN1; SMN2CNR1
SCHEMBL6062008 0.85 CNR2 (0.40) CNR2MEN1KMT2ASMN1; SMN2CNR1
SCHEMBL5546515 0.84 CNR2 (0.43) CNR2MEN1KMT2ACNR1

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-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 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-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS BCDIN3D, DUT, SAMHD1 CNR2 3954/4885MEN1 4802/4885KMT2A 502/4885

“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.