SCHEMBL13659596

SCHEMBL13659596

CNc1cc(C(=O)NCCN2CCOCC2)n(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.54
POLB P06746 2/20 0.53
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.50
ALOX15 P16050 2/20 0.50
TP53 P04637 1/20 0.50
HTR1A P08908 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
KCNH2 Q12809 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
CYP2C19 P33261 2/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
USP2 O75604 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL16348811 0.95 NPSR1 (0.50) NPSR1POLBALDH1A1KDM4EALOX15
SCHEMBL14099832 0.89 NPSR1 (0.53) NPSR1POLBALDH1A1KDM4EALOX15
SCHEMBL12514061 0.88 EPHX2 (0.55) POLBALDH1A1HTR1AMAOAMAOB
SCHEMBL14267760 0.88 NPSR1 (0.52) NPSR1POLBALDH1A1KDM4EALOX15
SCHEMBL15076110 0.86 NPSR1 (0.50) NPSR1POLBALDH1A1KDM4EALOX15
SCHEMBL12513962 0.85 NPSR1 (0.49) NPSR1POLBALDH1A1KDM4EALOX15
SCHEMBL2399081 0.84 CD274 (0.50) NPSR1POLBALDH1A1KDM4EALOX15
SCHEMBL2399257 0.84 CD274 (0.50) NPSR1POLBALDH1A1KDM4EALOX15
SCHEMBL12513585 0.84 CD274 (0.57) NPSR1POLBALDH1A1KDM4EALOX15
SCHEMBL2398657 0.81 LMNA (0.54) NPSR1POLBALDH1A1CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247513-A1 BENZOTHIOPHENE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY GENESOFT PHARMACEUTICALS, INC. (US) 2009-10-01 US disclosed
US-20090247513-A1 BENZOTHIOPHENE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY GENESOFT PHARMACEUTICALS, INC. (US) 2009-10-01 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-20090247513-A1 BENZOTHIOPHENE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY TOP2A, TOP1, TOP2B NPSR1 2780/4885POLB 98/4885ALDH1A1 2608/4885

“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.