SCHEMBL4056252

SCHEMBL4056252

COC(=O)c1nn2c(c1OCc1ccccc1)C(=O)N(CC(=O)N1CCOCC1)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ENPP2 Q13822 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
PTGS2 P35354 1/20 0.39
FKBP1A P62942 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NMT2 O60551 1/20 0.38
NMT1 P30419 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL4196385 0.80 LMNA (0.44) TDP1KMT2AALDH1A1HSD17B10MAPT
SCHEMBL4054910 0.80 GAA (0.37) NPSR1TDP1MEN1KMT2AALDH1A1
SCHEMBL4049801 0.79 MEN1 (0.55) TDP1MEN1KMT2AALDH1A1HTT
SCHEMBL4056258 0.79 ADAM33 (0.37) NPSR1MEN1KMT2AALDH1A1HSD17B10
SCHEMBL4201415 0.74 MEN1 (0.48) TDP1MEN1KMT2AALDH1A1HTT
SCHEMBL4198610 0.73 USP2 (0.44) TDP1KMT2AALDH1A1HSD17B10MAPT
SCHEMBL4198898 0.72 MEN1 (0.43) TDP1MEN1KMT2AALDH1A1HTT
SCHEMBL4199689 0.72 USP2 (0.43) TDP1KMT2AALDH1A1HSD17B10MAPT
SCHEMBL4202996 0.72 LMNA (0.42) TDP1ALDH1A1HSD17B10KDM4EMAPT
SCHEMBL4196395 0.71 GRM5 (0.42) MEN1KMT2AALDH1A1HTTKDM4E

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 NPSR1 2863/4885TDP1 370/4885ENPP2 4464/4885

“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.