SCHEMBL4049953

SCHEMBL4049953

CNC(=O)c1nn2c(c1OCc1ccccc1)C(=O)N(Cc1ccc(F)cc1)C(C)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
CHRM4 P08173 1/20 0.39
POLB P06746 2/20 0.38
S1PR5 Q9H228 1/20 0.37
PRKAA2 P54646 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
GRM5 P41594 2/20 0.36
MAPT P10636 1/20 0.36
GRM3 Q14832 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
PTGER1 P34995 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL4047078 0.90 SMN1; SMN2 (0.41) SMN1; SMN2CHRM4POLBS1PR5CTDSP1
SCHEMBL4196571 0.82 POLB (0.43) POLBPRKAA2P2RX7CNR1CNR2
SCHEMBL4199047 0.81 SMN1; SMN2 (0.46) SMN1; SMN2POLBLMNAL3MBTL1MAPT
SCHEMBL4206478 0.80 POLB (0.39) SMN1; SMN2CHRM4POLBS1PR5PRKAA2
SCHEMBL4049801 0.73 MEN1 (0.55) SMN1; SMN2POLBCTDSP1LMNAL3MBTL1
SCHEMBL4202996 0.73 LMNA (0.42) SMN1; SMN2LMNAMAPT
SCHEMBL4207607 0.72 LMNA (0.49) SMN1; SMN2POLBCTDSP1LMNAL3MBTL1
SCHEMBL4218947 0.72 MEN1 (0.38) POLBP2RX7
SCHEMBL4201415 0.72 MEN1 (0.48) SMN1; SMN2POLBLMNAL3MBTL1NCOA3
SCHEMBL4197420 0.70 SMN1; SMN2 (0.46) SMN1; SMN2POLBLMNAL3MBTL1MAPT

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 4093/4885CHRM4 3078/4885POLB 27/4885

“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.