SCHEMBL5547211

SCHEMBL5547211

CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(Cc2ccc(N3CCCC3)cc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.42
HPGD P15428 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR1 P21554 2/20 0.40
PARP1 P09874 2/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
TP53 P04637 2/20 0.38
IKBKB O14920 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
SCHEMBL5540762 0.90 CNR2 (0.41) CNR2HPGDL3MBTL1SMN1; SMN2MEN1
SCHEMBL5538780 0.88 CNR2 (0.42) CNR2HPGDL3MBTL1SMN1; SMN2MEN1
SCHEMBL5545372 0.87 CNR2 (0.45) CNR2HPGDL3MBTL1SMN1; SMN2MEN1
SCHEMBL5546437 0.84 GRIN2B (0.44) CNR2L3MBTL1
SCHEMBL5545520 0.84 KDM4E (0.43) HPGDSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL5547276 0.83 CNR2 (0.41) CNR2MEN1KMT2ACNR1MAPT
SCHEMBL5547227 0.83 GRIN1 (0.46) CNR2HPGDL3MBTL1SMN1; SMN2MEN1
SCHEMBL5545562 0.82 CNR2 (0.39) CNR2HPGDL3MBTL1SMN1; SMN2MEN1
SCHEMBL5548075 0.82 CNR2 (0.39) CNR2HPGDL3MBTL1SMN1; SMN2MEN1
SCHEMBL5545426 0.82 L3MBTL1 (0.42) CNR2HPGDL3MBTL1SMN1; SMN2MEN1

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-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
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 (2 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 3954/4885HPGD 3518/4885L3MBTL1 1411/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 CNR2 4810/4885HPGD 2929/4885L3MBTL1 1408/4885

“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.