SCHEMBL4199047

SCHEMBL4199047

CC1Cn2nc(C(=O)NCc3ccc(F)cc3)c(OCc3ccccc3)c2C(=O)N1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 1/20 0.42
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
PTGER4 P35408 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
USP2 O75604 1/20 0.39
RCE1 Q9Y256 1/20 0.39
SGMS2 Q8NHU3 1/20 0.39
APP P05067 1/20 0.38
SENP5 Q96HI0 1/20 0.38
SENP2 Q9HC62 1/20 0.38
SENP1 Q9P0U3 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
SCHEMBL4202472 0.82 SMN1; SMN2 (0.48) SMN1; SMN2TP53ALDH1A1LIPGMEN1
SCHEMBL4202996 0.82 LMNA (0.42) SMN1; SMN2LMNAMAPTTP53ALDH1A1
SCHEMBL4197420 0.82 SMN1; SMN2 (0.46) SMN1; SMN2LMNAMAPTL3MBTL1TP53
SCHEMBL4049953 0.81 SMN1; SMN2 (0.40) SMN1; SMN2LMNAMAPTL3MBTL1POLB
SCHEMBL4047078 0.78 SMN1; SMN2 (0.41) SMN1; SMN2LMNAL3MBTL1POLBMEN1
SCHEMBL4356392 0.78 LMNA (0.47) SMN1; SMN2LMNAMAPTL3MBTL1TP53
SCHEMBL4048593 0.77 SMN1; SMN2 (0.41) SMN1; SMN2LMNAMAPTL3MBTL1TP53
SCHEMBL4205575 0.75 SMN1; SMN2 (0.39) SMN1; SMN2LMNAMAPTL3MBTL1TP53
SCHEMBL4396976 0.71 SMN1; SMN2 (0.48) SMN1; SMN2LMNAMAPTL3MBTL1TP53
SCHEMBL13572502 0.71 LMNA (0.38) SMN1; SMN2LMNAMAPTL3MBTL1ALDH1A1

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 4093/4885LMNA 3087/4885MAPT 3777/4885

“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.