SCHEMBL5540825

SCHEMBL5540825

CCOC(=O)c1ncc(Cc2ccccc2)cc1NCc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.46
ALDH1A1 P00352 6/20 0.46
NPSR1 Q6W5P4 4/20 0.46
MAPK1 P28482 2/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GLA P06280 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
EED O75530 1/20 0.43
KDM4E B2RXH2 2/20 0.42
PTGS2 P35354 2/20 0.42

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
SCHEMBL5540917 0.91 LMNA (0.46) LMNAMAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL5545422 0.81 LTA4H (0.44) LMNAALDH1A1NPSR1RAB9AMEN1
SCHEMBL5545360 0.78 POLB (0.40) MAPK1RAB9AKMT2ASMN1; SMN2CYP2C9
SCHEMBL14065332 0.76 BRD4 (0.42) LMNAALDH1A1NPSR1RAB9AMEN1
SCHEMBL13851059 0.75 BRD4 (0.52) NPSR1MAPK1RAB9AMEN1KMT2A
SCHEMBL5540834 0.75 ALDH1A1 (0.46) ALDH1A1NPSR1MAPK1RAB9AMEN1
SCHEMBL14065327 0.75 KDM4E (0.47) LMNAALDH1A1NPSR1MAPK1RAB9A
SCHEMBL5540554 0.74 LMNA (0.39) LMNAALDH1A1NPSR1MAPK1HTT
SCHEMBL5538446 0.74 ALDH1A1 (0.40) LMNAALDH1A1NPSR1MAPK1RAB9A
SCHEMBL5547397 0.74 POLB (0.40) MAPK1MEN1KMT2ASMN1; SMN2MAPT

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 15 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-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
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
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
US-8691991-B2 2-oxonaphthyridine-3-carboxamides HIV integrase inhibitors SHIONOGI & CO., LTD. (JP) 2014-04-08 US disclosed
US-8691991-B2 2-oxonaphthyridine-3-carboxamides HIV integrase inhibitors SHIONOGI & CO., LTD. (JP) 2014-04-08 US disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP 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
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US disclosed
EP-1720856-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP disclosed
WO-2005077050-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 WO 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 LMNA 3503/4885ALDH1A1 3812/4885NPSR1 4539/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 LMNA 4134/4885ALDH1A1 3073/4885NPSR1 4734/4885

“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.