SCHEMBL5886945

SCHEMBL5886945

CCCCC(CC)CNc1nc(C)c2ccc(=O)n(-c3ccc(C(=O)NCCC[N+](C)(C)[O-])cc3)c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.34
MAPT P10636 2/20 0.34
TSHR P16473 2/20 0.33
RXFP1 Q9HBX9 3/20 0.33
MAP4K1 Q92918 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
P2RX7 Q99572 1/20 0.31
ADORA3 P0DMS8 2/20 0.30
ADORA2A P29274 2/20 0.30
ADORA1 P30542 2/20 0.30
RAB9A P51151 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
POLB P06746 1/20 0.30
IGFBP3 P17936 1/20 0.30
GLA P06280 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL5886980 0.91 L3MBTL1 (0.41) TP53SMN1; SMN2GAAMAPTTSHR
Dimethylamine SCHEMBL5887655 0.89 TP53 (0.37) TP53SMN1; SMN2GAAMAPTTSHR
SCHEMBL5887565 0.87 TP53 (0.40) TP53SMN1; SMN2GAAMAPTTSHR
SCHEMBL5886947 0.87 TP53 (0.39) TP53SMN1; SMN2GAAMAPTTSHR
SCHEMBL5886990 0.86 MAPT (0.41) TP53SMN1; SMN2GAAMAPTRXFP1
SCHEMBL5886880 0.84 MAPT (0.34) GAAMAPTTSHRRXFP1RAB9A
SCHEMBL5886884 0.84 TP53 (0.40) TP53SMN1; SMN2MAPTRXFP1MAP4K1
SCHEMBL5886933 0.84 MAPK8 (0.37) TP53SMN1; SMN2MAPT
SCHEMBL5886801 0.84 MAPK8 (0.38) TP53SMN1; SMN2GAAMAPTTSHR
SCHEMBL5886778 0.84 MAPT (0.44) SMN1; SMN2GAAMAPTTSHRRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7019002-B2 Substituted on 8th position with benzoic acid, ester or amide groups; anticancer agents PHARMACIA & UPJOHN, S.P.A. (IT) 2006-03-28 US claimed
US-20040009993-A1 Pyridopyrimidinones derivatives as telomerase inhibitors PHARMACIA ITALIA S.P.A. 2004-01-15 US claimed
US-7019002-B2 Substituted on 8th position with benzoic acid, ester or amide groups; anticancer agents PHARMACIA & UPJOHN, S.P.A. (IT) 2006-03-28 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 (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-20040009993-A1 Pyridopyrimidinones derivatives as telomerase inhibitors TERT, TERF2, TERF2IP TP53 43/4885SMN1; SMN2 2219/4885GAA 2823/4885

“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.