SCHEMBL1801024

SCHEMBL1801024

CCOC(=O)c1ccc(CN2CCCC2)o1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
NPSR1 Q6W5P4 1/20 0.65
KDM4E B2RXH2 4/20 0.58
GAA P10253 2/20 0.58
TSHR P16473 2/20 0.56
HRH3 Q9Y5N1 1/20 0.53
POLB P06746 3/20 0.50
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TLR2 O60603 1/20 0.50
NSD2 O96028 1/20 0.50
PKM P14618 1/20 0.50
MPI P34949 1/20 0.50
GRK6 P43250 1/20 0.50
RECQL P46063 1/20 0.50
TLR1 Q15399 1/20 0.50
TLR6 Q9Y2C9 1/20 0.50
HTT P42858 1/20 0.50
LMNA P02545 2/20 0.49
NPC1 O15118 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
SCHEMBL25062544 0.99 ALDH1A1 (0.63) ALDH1A1NPSR1KDM4EGAATSHR
SCHEMBL8242761 0.89 ALDH1A1 (0.66) ALDH1A1NPSR1KDM4EGAATSHR
SCHEMBL3501938 0.89 HTT (0.66) ALDH1A1NPSR1KDM4EGAATSHR
SCHEMBL9219870 0.87 ALDH1A1 (0.59) ALDH1A1NPSR1KDM4EGAATSHR
SCHEMBL6582577 0.85 ALDH1A1 (0.88) ALDH1A1NPSR1KDM4EGAATSHR
SCHEMBL25062384 0.83 KDM4E (0.55) ALDH1A1NPSR1KDM4EGAATSHR
Trifluoroacetic Acid SCHEMBL5305580 0.81 ALDH1A1 (0.56) ALDH1A1NPSR1KDM4EGAATSHR
SCHEMBL25062743 0.81 ALDH1A1 (0.48) ALDH1A1NPSR1KDM4EGAATSHR
SCHEMBL25062911 0.81 ALDH1A1 (0.52) ALDH1A1NPSR1KDM4EGAATSHR
SCHEMBL1286668 0.80 KDM4E (0.66) ALDH1A1NPSR1KDM4EGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1911755-B1 BENZOIMIDAZOLE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHETASE TAIHO PHARMACEUTICAL CO LTD (JP) 2011-09-14 EP disclosed
US-7951956-B2 Benzoimidazole compound capable of inhibiting prostaglandin D synthetase TAIHO PHARMACEUTICALS CO., LTD. (JP) 2011-05-31 US disclosed
US-7951956-B2 Benzoimidazole compound capable of inhibiting prostaglandin D synthetase TAIHO PHARMACEUTICALS CO., LTD. (JP) 2011-05-31 US disclosed
US-20090281098-A1 BENZOIMIDAZOLE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHETASE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-12 US disclosed
US-20090281098-A1 BENZOIMIDAZOLE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHETASE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-12 US disclosed
EP-1911755-A1 BENZOIMIDAZOLE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHETASE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2008-04-16 EP 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-20090281098-A1 BENZOIMIDAZOLE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHETASE PTGS1, PTGIS, PTGES ALDH1A1 368/4885NPSR1 541/4885KDM4E 3049/4885

“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.