SCHEMBL5545945

SCHEMBL5545945

CC(C)Cn1c(=O)c(C(=O)NCCCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 3/20 0.42
USP2 O75604 2/20 0.42
TSHR P16473 2/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CNR2 P34972 3/20 0.40
HSP90AA1 P07900 1/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
GAA P10253 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
SCHEMBL15163642 0.94 ALDH1A1 (0.44) ALDH1A1HSD17B10SMN1; SMN2KDM4ELMNA
SCHEMBL5540178 0.89 ALDH1A1 (0.43) ALDH1A1HSD17B10SMN1; SMN2KDM4ELMNA
SCHEMBL5545799 0.87 KDM4E (0.42) ALDH1A1SMN1; SMN2KDM4ELMNAUSP2
SCHEMBL15163675 0.86 CNR2 (0.46) ALDH1A1HSD17B10LMNAUSP2TSHR
SCHEMBL5545559 0.85 L3MBTL1 (0.41) ALDH1A1SMN1; SMN2KDM4ELMNAUSP2
SCHEMBL15163560 0.85 TP53 (0.42) ALDH1A1HSD17B10SMN1; SMN2KDM4EMEN1
SCHEMBL5548080 0.85 L3MBTL1 (0.40) ALDH1A1HSD17B10SMN1; SMN2KDM4ELMNA
SCHEMBL5546508 0.84 MEN1 (0.50) SMN1; SMN2KDM4ETSHRMEN1KMT2A
SCHEMBL5546779 0.84 L3MBTL1 (0.53) ALDH1A1HSD17B10SMN1; SMN2KDM4ELMNA
SCHEMBL5538501 0.84 KDM4E (0.43) HSD17B10SMN1; SMN2KDM4ELMNATSHR

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 ALDH1A1 3812/4885HSD17B10 2218/4885SMN1; SMN2 4504/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 ALDH1A1 3073/4885HSD17B10 1401/4885SMN1; SMN2 4786/4885

“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.