SCHEMBL4055907

SCHEMBL4055907

O=C(NCc1ccc(Cl)c(Cl)c1)c1nn2c(c1O)C(=O)N(CC1CC1)CC2

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.44
HRH3 Q9Y5N1 2/20 0.42
CNR1 P21554 11/20 0.41
CNR2 P34972 10/20 0.41
EPHX2 P34913 1/20 0.41
CXCR3 P49682 1/20 0.40
OPRK1 P41145 2/20 0.39
OPRD1 P41143 1/20 0.39
P2RX7 Q99572 1/20 0.39

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
SCHEMBL4203003 0.84 LIPG (0.49) NAMPTCNR1CNR2P2RX7
SCHEMBL4056225 0.82 KMT2A (0.45) NAMPTCNR1CNR2
SCHEMBL4225048 0.78 KMT2A (0.41) NAMPTCNR1CNR2
SCHEMBL4225819 0.78 CNR1 (0.42) NAMPTCNR1CNR2
SCHEMBL4225047 0.70 NAMPT (0.35) NAMPTHRH3CNR1CNR2
SCHEMBL4049646 0.66 LMNA (0.49) CNR1CNR2
SCHEMBL4046865 0.66 CD274 (0.49) CNR2EPHX2
SCHEMBL13947766 0.65 MEN1 (0.46)
SCHEMBL4199780 0.65 MEN1 (0.43) CNR1CNR2
SCHEMBL6094568 0.64 LMNA (0.51) CNR1CNR2

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
US-7476666-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-01-13 US claimed
US-20080015187-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-17 US claimed
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-7476666-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-01-13 US 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
US-20080015187-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-17 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 NAMPT 205/4885HRH3 769/4885CNR1 2558/4885

“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.