SCHEMBL14065327

SCHEMBL14065327

CCOC(=O)c1ncc(Cc2ccccc2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
GABRA1 P14867 4/20 0.44
GABRA3 P34903 4/20 0.44
GABRG2 P18507 3/20 0.44
GABRB3 P28472 3/20 0.44
GABRA5 P31644 3/20 0.44
GABRA2 P47869 3/20 0.44
LTA4H P09960 3/20 0.44
RAB9A P51151 2/20 0.44
CYP19A1 P11511 1/20 0.44
MEN1 O00255 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GABRB1 P18505 3/20 0.44
GABRB2 P47870 3/20 0.44
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44

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
SCHEMBL9515069 0.88 KDM4E (0.49) KDM4EKMT2AMAPK1L3MBTL1SMN1; SMN2
SCHEMBL5540834 0.86 ALDH1A1 (0.46) KDM4EKMT2AMAPK1SMN1; SMN2GABRA1
SCHEMBL13851063 0.86 KDM4E (0.46) KDM4EKMT2ASMN1; SMN2GABRA1GABRA3
SCHEMBL11630841 0.84 RNASEH1 (0.42) ALDH1A1HPGDLMNA
SCHEMBL13851064 0.84 KDM4E (0.48) KDM4EKMT2AMAPK1L3MBTL1SMN1; SMN2
SCHEMBL5545422 0.81 LTA4H (0.44) KDM4EKMT2AL3MBTL1SMN1; SMN2GABRA1
SCHEMBL14065332 0.80 BRD4 (0.42) KDM4EKMT2ASMN1; SMN2GABRA1GABRA3
SCHEMBL13851059 0.80 BRD4 (0.52) KMT2AMAPK1SMN1; SMN2LTA4HRAB9A
SCHEMBL16999960 0.79 RAB9A (0.42) KDM4EKMT2AL3MBTL1SMN1; SMN2GABRA1
SCHEMBL13851060 0.78 RAB9A (0.54) KDM4EKMT2ASMN1; SMN2GABRA1GABRA3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691991-B2 2-oxonaphthyridine-3-carboxamides HIV integrase inhibitors SHIONOGI & CO., LTD. (JP) 2014-04-08 US disclosed
US-20080234231-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-09-25 US disclosed
US-20080214527-A1 Hiv Integrase Inhibitors SHIONOGI & CO. LTD (JP) 2008-09-04 US disclosed
US-20080214503-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
US-20080194523-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-08-14 US 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 (4 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-20080214527-A1 Hiv Integrase Inhibitors API5, ING2, SAMHD1 KDM4E 1139/4885KMT2A 682/4885MAPK1 2495/4885
US-20080214503-A1 Hiv Integrase Inhibitors SAMHD1, ACIN1, API5 KDM4E 2653/4885KMT2A 1762/4885MAPK1 2563/4885
US-20080194523-A1 Hiv Integrase Inhibitors ING2, API5, SAMHD1 KDM4E 1183/4885KMT2A 816/4885MAPK1 2268/4885
US-20080234231-A1 Hiv Integrase Inhibitors ING2, API5, SAMHD1 KDM4E 1183/4885KMT2A 816/4885MAPK1 2268/4885

“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.