SCHEMBL5545455

SCHEMBL5545455

CC(O)CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(Cc2ccccn2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.46
TSHR P16473 3/20 0.46
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
USP2 O75604 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
S1PR3 Q99500 11/20 0.44
KDM4E B2RXH2 3/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
CNR2 P34972 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5545514 0.90 GRIN1 (0.44) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL5546547 0.89 ALDH1A1 (0.43) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL5547322 0.88 ALDH1A1 (0.43) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL5538720 0.88 CNR2 (0.43) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL5541165 0.87 L3MBTL1 (0.52) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL5546763 0.87 CNR2 (0.40) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL6061081 0.85 CNR2 (0.58) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL5545697 0.84 L3MBTL1 (0.42) ALDH1A1LMNATSHRHTTSMN1; SMN2
SCHEMBL5545394 0.84 CNR2 (0.43) L3MBTL1CNR2MEN1KMT2A
SCHEMBL5545367 0.84 CNR2 (0.42) ALDH1A1LMNATSHRHTTSMN1; SMN2

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 3812/4885LMNA 3503/4885TSHR 4052/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 ALDH1A1 3073/4885LMNA 4134/4885TSHR 4622/4885

“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.