SCHEMBL4200617

SCHEMBL4200617

COC(=O)c1nn2c(c1OCc1ccccc1)C(=O)N(C)CC2CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
USP2 O75604 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 3/20 0.35
PKM P14618 1/20 0.35
GLRA1 P23415 1/20 0.35
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GLA P06280 1/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.34
CHRNB2 P17787 2/20 0.34
CHRNA7 P36544 2/20 0.34
CHRNA4 P43681 2/20 0.34
GRM5 P41594 1/20 0.34

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
SCHEMBL18632625 0.92 LMNA (0.41) LMNAHPGDUSP2ALDH1A1TSHR
SCHEMBL4055799 0.88 LMNA (0.38) LMNAHPGDUSP2ALDH1A1TSHR
SCHEMBL4207598 0.87 EGFR (0.40) LMNAHPGDUSP2ALDH1A1TSHR
SCHEMBL4203827 0.87 LMNA (0.42) LMNAHPGDUSP2ALDH1A1TSHR
SCHEMBL4196535 0.83 AGTR2 (0.40) LMNAHPGDUSP2ALDH1A1TSHR
SCHEMBL18660073 0.82 PLA2G2A (0.37) LMNAHPGDALDH1A1TSHRMAPT
SCHEMBL4201674 0.81 APP (0.40) LMNAHPGDUSP2ALDH1A1TSHR
SCHEMBL18660063 0.81 LMNA (0.39) LMNAHPGDUSP2ALDH1A1TSHR
SCHEMBL4192871 0.81 ALDH1A1 (0.40) LMNAHPGDUSP2ALDH1A1HSD17B10
SCHEMBL4046964 0.80 LMNA (0.39) LMNAHPGDUSP2ALDH1A1TSHR

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 LMNA 3087/4885HPGD 2589/4885USP2 4226/4885

“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.