SCHEMBL5538405

SCHEMBL5538405

CC(=O)Nc1ccc(Cn2c(=O)c(C(=O)NC(C)CO)c(O)c3ncc(Cc4ccc(F)cc4)cc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.46
MAPT P10636 3/20 0.44
TP53 P04637 2/20 0.44
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EGLN1 Q9GZT9 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ERCC5 P28715 1/20 0.39
P2RX3 P56373 1/20 0.39
POLB P06746 1/20 0.38
CNR1 P21554 3/20 0.36
HIF1A Q16665 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
SCHEMBL5538479 0.93 CNR2 (0.45) CNR2MAPTTP53ALDH1A1MEN1
SCHEMBL5545411 0.89 CNR2 (0.42) CNR2MAPTTP53ALDH1A1MEN1
SCHEMBL5540865 0.87 MAPT (0.43) CNR2MAPTTP53ALDH1A1MEN1
SCHEMBL5538524 0.87 L3MBTL1 (0.47) CNR2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL5541030 0.87 L3MBTL1 (0.47) CNR2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL5545864 0.87 L3MBTL1 (0.47) CNR2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL5547213 0.86 CNR2 (0.43) CNR2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL5545866 0.86 MAPT (0.42) CNR2MAPTTP53ALDH1A1MEN1
SCHEMBL15163560 0.85 TP53 (0.42) CNR2MAPTTP53ALDH1A1MEN1
SCHEMBL5545286 0.85 CNR2 (0.44) CNR2ALDH1A1MEN1KMT2AL3MBTL1

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 3954/4885MAPT 2173/4885TP53 4123/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 CNR2 4810/4885MAPT 949/4885TP53 2849/4885

“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.