SCHEMBL5553590

SCHEMBL5553590

Cc1ccc(Sc2ncccc2C=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
SMN1; SMN2 Q16637 5/20 0.56
GAA P10253 2/20 0.56
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 4/20 0.43
HTT P42858 4/20 0.43
LMNA P02545 3/20 0.43
TRIM24 O15164 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL1466714 0.85 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2GAAMAPTHTT
SCHEMBL1465884 0.84 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2GAAMAPTHTT
SCHEMBL3969958 0.84 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2GAAHTTLMNA
SCHEMBL8294904 0.84 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2GAARAB9ANPC1
SCHEMBL6766311 0.84 TRIM24 (0.51) ALDH1A1SMN1; SMN2GAARAB9ANPC1
SCHEMBL3111830 0.78 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2GAARAB9ANPC1
SCHEMBL5552951 0.76 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2GAARAB9ANPC1
SCHEMBL14365405 0.76 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2GAARAB9ANPC1
SCHEMBL1255150 0.75 TRIM24 (0.52) ALDH1A1RAB9ANPC1LMNATRIM24
SCHEMBL13990851 0.75 RAB9A (0.60) ALDH1A1SMN1; SMN2GAARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101123959-A Aryl, heteroaryl and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions thereof for the treatment of human diseases RENOVIS INC (US) 2008-02-13 CN disclosed
US-20070275932-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders RENOVIS, INC. 2007-11-29 US disclosed
EP-1660011-A2 ARYL, HETEROAROMATIC AND BICYCLIC ARYL NITRONE COMPOUNDS, PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS Renovis, Inc. (US) 2006-05-31 EP disclosed
US-20050059638-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders RENOVIS, INC. 2005-03-17 US disclosed
WO-2005016272-A2 ARYL, HETEROAROMATIC AND BICYCLIC ARYL NITRONE COMPOUNDS, PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS RENOVIS, INC. (US) 2005-02-24 WO disclosed
US-20040192680-A1 Novel amides that activate soluble guanylate cyclase ABBOTT LABORATORIES 2004-09-30 US disclosed
WO-2004060859-A2 NOVEL AMIDES THAT ACTIVATE SOLUBLE GUANYLATE CYCLASE ABBOTT LABORATORIES (US) 2004-07-22 WO disclosed
US-20040121994-A1 Novel amides that activate soluble guanylate cyclase ABBOTT LABORATORIES 2004-06-24 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 (4 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-20070275932-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders AHR, NAT1, ARNT ALDH1A1 487/4885SMN1; SMN2 155/4885GAA 426/4885
US-20050059638-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders AHR, NAT1, ARNT ALDH1A1 487/4885SMN1; SMN2 155/4885GAA 426/4885
US-20040121994-A1 Novel amides that activate soluble guanylate cyclase GUCY1A1, GUCY1B1, GUCY1A2 ALDH1A1 510/4885SMN1; SMN2 710/4885GAA 1898/4885
US-20040192680-A1 Novel amides that activate soluble guanylate cyclase GUCY1A1, GUCY1B1, GUCY1A2 ALDH1A1 510/4885SMN1; SMN2 710/4885GAA 1898/4885

“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.