SCHEMBL4210673

SCHEMBL4210673

N#CC(c1ccccc1)n1nc(C(=O)O)c(OCc2ccccc2)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.37
NR4A1 P22736 1/20 0.37
NR4A3 Q92570 1/20 0.37
P4HTM Q9NXG6 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
MAOB P27338 1/20 0.35
SRD5A2 P31213 1/20 0.35
ALOX5 P09917 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL4202498 0.85 LMNA (0.43) GAATSHRMEN1KMT2ACTSL
SCHEMBL4196530 0.70 PTPN1 (0.42) NR4A2NR4A1NR4A3P4HTMGAA
SCHEMBL4201664 0.70 PKM (0.41) NR4A2NR4A1NR4A3P4HTMGAA
SCHEMBL4201423 0.68 PKM (0.39) NR4A2NR4A1NR4A3P4HTMGAA
SCHEMBL4200375 0.65 MEN1 (0.43) MEN1KMT2ACTSL
SCHEMBL4200369 0.65 MEN1 (0.43) MEN1KMT2ACTSL
SCHEMBL23115620 0.62 POLB (0.48) NR4A2NR4A1NR4A3P4HTMPKM
SCHEMBL21201509 0.62 LMNA (0.41) NR4A2NR4A1NR4A3P4HTMPKM
SCHEMBL4890014 0.61 KDM4E (0.47) NR4A2NR4A1NR4A3P4HTMMEN1
SCHEMBL4324119 0.61 NR4A2 (0.49) NR4A2NR4A1NR4A3P4HTMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758585-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-07-22 EP disclosed
US-7476666-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-01-13 US disclosed
US-20080015187-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-17 US disclosed
EP-1758585-A2 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2007-03-07 EP disclosed
WO-2005120516-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-12-22 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 (1 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-20080015187-A1 Hiv Integrase Inhibitors REV1, ZC3HAV1, PNP NR4A2 1016/4885NR4A1 270/4885NR4A3 594/4885

“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.