SCHEMBL1386093

SCHEMBL1386093

Cc1nn(Cc2cccc3c2OCO3)c(=O)c2c(O)c3n(c12)CCN(C)C3=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
FAAH O00519 1/20 0.34
EED O75530 2/20 0.33
PKM P14618 2/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RECQL P46063 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
PDE5A O76074 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
PDE2A O00408 1/20 0.31

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
SCHEMBL3986669 0.84 TSHR (0.38) LMNASMN1; SMN2PKMHTTMEN1
SCHEMBL3985716 0.83 PDE5A (0.46) LMNASMN1; SMN2PKMHTTPOLB
SCHEMBL3988165 0.83 SLC22A12 (0.41) POLBMEN1ALDH1A1KMT2A
SCHEMBL3991515 0.83 PKM (0.38) PKMMEN1KMT2APDE5APKLR
SCHEMBL1386722 0.81 MEN1 (0.44) LMNAPKMHTTMEN1ALDH1A1
SCHEMBL3986391 0.80 NPBWR1 (0.37) KMT2A
SCHEMBL3985461 0.80 PDE5A (0.39) POLBMEN1MAPTKMT2APDE5A
SCHEMBL3992564 0.79 PDE5A (0.38) LMNASMN1; SMN2HTTPOLBMEN1
SCHEMBL3985863 0.78 PKM (0.35) LMNASMN1; SMN2PKMHTTMEN1
SCHEMBL3985480 0.78 PKM (0.36) PKMPKLR

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4824673-B2 2011-11-30 JP claimed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US claimed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US claimed
EP-1756114-A2 HIV INTEGRASE INHIBITORS Merck and Co., Inc. (US) 2007-02-28 EP claimed
WO-2005110414-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-11-24 WO claimed
EP-1756114-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US disclosed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US 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-20080287394-A1 Hiv Integrase Inhibitors DHPS, DPYD, TYMP LMNA 3682/4885SMN1; SMN2 4264/4885FAAH 4622/4885

“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.