SCHEMBL4323210

SCHEMBL4323210

Nc1cn2c(c(OCc3ccccc3)c1=O)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
HTT P42858 3/20 0.37
ALDH1A1 P00352 2/20 0.37
DRD4 P21917 1/20 0.36
SCD O00767 1/20 0.36
P2RX7 Q99572 1/20 0.36
CLPP Q16740 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TRAP1 Q12931 1/20 0.34

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
SCHEMBL4321812 0.89 LMNA (0.41) LMNASMN1; SMN2L3MBTL1NCOA3HTT
SCHEMBL14140675 0.85 GRM2 (0.35) SMN1; SMN2HTTALDH1A1P2RX7MEN1
SCHEMBL4321093 0.85 SCD (0.41) LMNASMN1; SMN2L3MBTL1NCOA3HTT
SCHEMBL14129635 0.84 LMNA (0.38) LMNASMN1; SMN2L3MBTL1NCOA3HTT
SCHEMBL4321634 0.82 SCD (0.38) LMNASMN1; SMN2L3MBTL1NCOA3HTT
SCHEMBL5061851 0.82 LMNA (0.36) LMNASMN1; SMN2L3MBTL1NCOA3HTT
SCHEMBL14129781 0.81 SCD (0.39) LMNASMN1; SMN2L3MBTL1NCOA3HTT
SCHEMBL4323532 0.80 SIGMAR1 (0.41) LMNASMN1; SMN2L3MBTL1NCOA3HTT
SCHEMBL4328859 0.80 LMNA (0.41) LMNASMN1; SMN2L3MBTL1NCOA3HTT
SCHEMBL16185235 0.79 KCNH2 (0.39) LMNASMN1; SMN2L3MBTL1NCOA3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2042502-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2009-04-01 EP disclosed
EP-1544199-B1 NITROGENOUS CONDENSED-RING COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC (JP) 2008-10-15 EP disclosed
US-20080161311-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. 2008-07-03 US disclosed
US-20080161311-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. 2008-07-03 US disclosed
US-7211572-B2 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2007-05-01 US disclosed
US-7211572-B2 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2007-05-01 US disclosed
US-20060052361-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. 2006-03-09 US disclosed
EP-1544199-A1 NITROGENOUS CONDENSED-RING COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2005-06-22 EP disclosed
US-20050054645-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2005-03-10 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 (3 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-20050054645-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor NNMT, PNP, DNTT LMNA 3234/4885SMN1; SMN2 2501/4885L3MBTL1 700/4885
US-20060052361-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor NNMT, PNP, DNTT LMNA 3234/4885SMN1; SMN2 2501/4885L3MBTL1 700/4885
US-20080161311-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor DNTT, PNP, NNMT LMNA 2372/4885SMN1; SMN2 2251/4885L3MBTL1 911/4885

“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.