SCHEMBL4054910

SCHEMBL4054910

COC(=O)c1nn2c(c1O)C(=O)N(CC(=O)N1CCOCC1)CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.37
POLB P06746 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GLA P06280 1/20 0.36
PTGS2 P35354 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
ALOX12 P18054 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
SCHEMBL4056252 0.80 NPSR1 (0.41) GAASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4056225 0.76 KMT2A (0.45) ALDH1A1MEN1KMT2AHPGD
SCHEMBL18665244 0.73 NPSR1 (0.35) GAAPOLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL4218950 0.71 MEN1 (0.61) GAAPOLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL18632621 0.65 KDM4C (0.36) GAAPOLBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL6379773 0.65 ALDH1A1 (0.36) GAAPOLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL6078954 0.60 SMN1; SMN2 (0.47) GAAPOLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL12324346 0.60 GLA (0.56) GAAPOLBSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL8134000 0.59 GAA (0.57) GAAPOLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL8336725 0.59 KDM4E (0.49) GAAPOLBSMN1; SMN2ALDH1A1MEN1

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 GAA 2879/4885POLB 27/4885SMN1; SMN2 4093/4885

“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.