SCHEMBL4201674

SCHEMBL4201674

COC(=O)c1nn2c(c1OCc1ccccc1)C(=O)N(C)CC2C(=O)N1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TP53 P04637 1/20 0.38
SCN9A Q15858 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM1A O60341 2/20 0.36
PREP P48147 1/20 0.36
EGFR P00533 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL4203827 0.88 LMNA (0.42) LMNAHPGDTP53USP2ALDH1A1
SCHEMBL4207598 0.84 EGFR (0.40) SMN1; SMN2LMNAHPGDUSP2ALDH1A1
SCHEMBL4196535 0.84 AGTR2 (0.40) LMNAHPGDUSP2ALDH1A1TSHR
SCHEMBL4200617 0.81 LMNA (0.41) SMN1; SMN2LMNAHPGDTP53USP2
SCHEMBL18632625 0.81 LMNA (0.41) SMN1; SMN2LMNAHPGDTP53USP2
SCHEMBL4204607 0.79 ACE (0.40) SMN1; SMN2HPGDTP53ALDH1A1HSD17B10
SCHEMBL4232692 0.78 AGTR2 (0.36) LMNAHPGDUSP2ALDH1A1TSHR
SCHEMBL4192871 0.78 ALDH1A1 (0.40) SMN1; SMN2LMNAHPGDUSP2ALDH1A1
SCHEMBL4055799 0.78 LMNA (0.38) LMNAHPGDTP53USP2ALDH1A1
SCHEMBL4194407 0.77 CYP19A1 (0.39) HPGDTP53ALDH1A1HSD17B10EGFR

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 APP 2166/4885SMN1; SMN2 4093/4885LMNA 3087/4885

“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.