SCHEMBL2947402

SCHEMBL2947402

N#Cc1cc(N)ccc1OCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.56
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
USP2 O75604 1/20 0.54
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HPGD P15428 2/20 0.45
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3951141 0.83 PTGDR2 (0.67) PTGDR2ALDH1A1NPC1RAB9AHPGD
SCHEMBL3499253 0.81 PTGDR2 (0.59) PTGDR2TDP1
SCHEMBL4594627 0.81 PTGDR2 (0.61) PTGDR2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL4595546 0.81 PTGDR2 (0.68) PTGDR2HPGDTDP1
SCHEMBL4200563 0.81 ALDH1A1 (0.66) PTGDR2ALDH1A1HPGD
SCHEMBL13665133 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EUSP2NPC1RAB9A
SCHEMBL8905331 0.80 PTGDR2 (0.66) PTGDR2ALDH1A1TDP1GAASMN1; SMN2
SCHEMBL13515795 0.79 NPC1 (0.70) PTGDR2ALDH1A1NPC1RAB9AHPGD
Hydrochloric Acid SCHEMBL8484286 0.78 PTGDR2 (0.64) PTGDR2ALDH1A1KDM4ETDP1GAA
SCHEMBL10595469 0.78 PTGDR2 (0.59) PTGDR2ALDH1A1KDM4EUSP2HPGD

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-1489078-B1 BENZOFURAN DERIVATIVE MITSUBISHI TANABE PHARMA CORP (JP) 2010-01-06 EP disclosed
US-7605158-B2 Carbamoyl-type benzofuran derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-20 US disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 US disclosed
US-7531537-B2 Benzofuran derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-12 US disclosed
US-20060247273-A1 Carbamoyl-type benzofuran derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-11-02 US disclosed
EP-1489078-A1 BENZOFURAN DERIVATIVE Tanabe Seiyaku Co., Ltd. (JP) 2004-12-22 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 (2 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-20060247273-A1 Carbamoyl-type benzofuran derivatives F12, F2, F3 PTGDR2 3122/4885ALDH1A1 1153/4885KDM4E 204/4885
US-20090209511-A1 Benzofuran Derivatives F12, F2, F3 PTGDR2 2108/4885ALDH1A1 693/4885KDM4E 1464/4885

“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.