SCHEMBL4495339

SCHEMBL4495339

COC(=O)Cc1nnc(-c2cccs2)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
POLB P06746 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ADCY1 Q08828 2/20 0.51
HPGD P15428 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
RAB9A P51151 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
KDM4E B2RXH2 4/20 0.49
LMNA P02545 2/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
RECQL P46063 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47

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
SCHEMBL4507350 0.87 SMN1; SMN2 (0.64) ALDH1A1POLBNPSR1HPGDSMN1; SMN2
SCHEMBL15029056 0.77 ADCY1 (0.55) ALDH1A1ADCY1HPGDSMN1; SMN2RAB9A
SCHEMBL15029055 0.76 HPGD (0.60) ALDH1A1POLBNPSR1HPGDSMN1; SMN2
SCHEMBL29032438 0.76 ALDH1A1 (0.56) ALDH1A1POLBNPSR1ADCY1HPGD
SCHEMBL30716063 0.75 CTSL (0.57) ALDH1A1POLBNPSR1ADCY1HPGD
SCHEMBL24145683 0.75 ALDH1A1 (0.53) ALDH1A1POLBNPSR1ADCY1HPGD
SCHEMBL24146266 0.74 ALDH1A1 (0.54) ALDH1A1POLBNPSR1ADCY1HPGD
SCHEMBL2706034 0.73 HPGD (0.60) ALDH1A1POLBNPSR1HPGDSMN1; SMN2
SCHEMBL30343026 0.73 HPGD (0.64) ALDH1A1POLBNPSR1HPGDSMN1; SMN2
SCHEMBL29032386 0.73 HPGD (0.60) ALDH1A1POLBNPSR1HPGDSMN1; SMN2

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
US-7569337-B2 Labeling brain tissues in vivo or in vitro; 3-Benzothiazol-2-yl-7-[4-(2-fluoro-ethyl)-piperazin-1-yl]-chromen-2-one; diagnosis, monitoring the effectiveness of a therapeutic treatment and detecting histopathological hallmarks of Alzheimer's disease NOVARTIS AG (CH) 2009-08-04 US disclosed
EP-1483262-B1 COUMARINES USEFUL AS BIOMARKERS NOVARTIS AG (CH) 2007-11-14 EP disclosed
US-20050169837-A1 Coumarines useful as biomarkers NOVARTIS AG (CH) 2005-08-04 US disclosed
EP-1483262-A1 COUMARINES USEFUL AS BIOMARKERS Novartis AG (CH) 2004-12-08 EP disclosed
WO-2003074519-A1 COUMARINES USEFUL AS BIOMARKERS NOVARTIS AG (CH) 2003-09-12 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-20050169837-A1 Coumarines useful as biomarkers CCNB1, CBR1, CYP1A1 ALDH1A1 86/4885POLB 3992/4885NPSR1 287/4885

“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.