SCHEMBL4201423

SCHEMBL4201423

O=C(O)c1nn(CCCBr)c(C(=O)O)c1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
PTGER1 P34995 5/20 0.38
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37
NR4A3 Q92570 1/20 0.37
MDM2 Q00987 1/20 0.37
P4HTM Q9NXG6 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
PTPN1 P18031 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
SCHEMBL4201664 0.93 PKM (0.41) PKMGAATSHRPTGER1GABRA1
SCHEMBL4531800 0.84 LMNA (0.45) PKMGAATSHRGABRA1GABRB2
SCHEMBL4196530 0.80 PTPN1 (0.42) PKMGAATSHRPTGER1KDM4E
SCHEMBL4199753 0.76 LMNA (0.47) PKMGAATSHRKDM4EALDH1A1
SCHEMBL26690240 0.72 POLB (0.46) PKMPTGER1ALDH1A1NR4A1NR4A2
SCHEMBL23115620 0.69 POLB (0.48) PKMPTGER1KDM4EALDH1A1NR4A1
SCHEMBL28786670 0.69 ALKBH1 (0.39) PKMPTGER1GABRA1GABRB2KDM4E
SCHEMBL4210673 0.68 NR4A2 (0.37) PKMGAATSHRKDM4EALDH1A1
SCHEMBL4200375 0.68 MEN1 (0.43) MEN1KMT2AMAPT
SCHEMBL4200369 0.68 MEN1 (0.43) MEN1KMT2AMAPT

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 PKM 1813/4885GAA 2879/4885TSHR 3017/4885

“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.