SCHEMBL4048593

SCHEMBL4048593

CN1CC(c2cccc(Br)c2)n2nc(C(=O)NCc3ccc(F)cc3)c(OCc3ccccc3)c2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 2/20 0.38
LIPG Q9Y5X9 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
APP P05067 1/20 0.36
SENP5 Q96HI0 2/20 0.36
SENP2 Q9HC62 2/20 0.36
SENP1 Q9P0U3 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL4197420 0.92 SMN1; SMN2 (0.46) SMN1; SMN2MAPTLMNAL3MBTL1TP53
SCHEMBL4205575 0.89 SMN1; SMN2 (0.39) SMN1; SMN2MAPTLMNAL3MBTL1TP53
SCHEMBL4049733 0.87 SMN1; SMN2 (0.45) SMN1; SMN2MAPTLMNAL3MBTL1TP53
SCHEMBL4206939 0.86 PTGER1 (0.39) MAPT
SCHEMBL4046964 0.85 LMNA (0.39) MAPTLMNATP53ALDH1A1POLB
SCHEMBL4200754 0.82 LMNA (0.35) SMN1; SMN2MAPTLMNAL3MBTL1
SCHEMBL13572502 0.81 LMNA (0.38) SMN1; SMN2MAPTLMNAL3MBTL1ALDH1A1
SCHEMBL4052973 0.79 SMN1; SMN2 (0.50) SMN1; SMN2MAPTL3MBTL1TP53LIPG
SCHEMBL4199047 0.77 SMN1; SMN2 (0.46) SMN1; SMN2MAPTLMNAL3MBTL1TP53
SCHEMBL4206967 0.77 RIPK1 (0.37) LMNAALDH1A1PKM

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 SMN1; SMN2 4093/4885MAPT 3777/4885LMNA 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.