SCHEMBL5271989

SCHEMBL5271989

Brc1cccc([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.44
▸ SSTR1 P30872 1/20 0.43
▸ SSTR2 P30874 1/20 0.43
▸ SSTR4 P31391 1/20 0.43
▸ SSTR3 P32745 1/20 0.43
▸ SSTR5 P35346 1/20 0.43
▸ PTPN1 P18031 9/20 0.42
▸ CDC25B P30305 8/20 0.42
▸ PTPN2 P17706 5/20 0.42
▸ PTPN11 Q06124 5/20 0.42
▸ PTPN6 P29350 4/20 0.42
▸ NT5E P21589 1/20 0.41
▸ TACR2 P21452 2/20 0.40
▸ MAOB P27338 1/20 0.39
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38

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
SCHEMBL12601466 1.00 HTR1A (0.44) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL5526982 0.88 HTR1A (0.44) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL12407908 0.88 SLC5A2 (0.41) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL19189222 0.87 HTR1A (0.51) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL19189070 0.87 HTR1A (0.51) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL144349 0.87 MAOB (0.40) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL9973924 0.87 MAOB (0.40) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL13786301 0.86 HTR1A (0.47) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL4956860 0.86 HTR1A (0.47) HTR1ASSTR1SSTR2SSTR4SSTR3
SCHEMBL5275316 0.86 PTPN1 (0.46) HTR1ASSTR1SSTR2SSTR4SSTR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169761-B2 Azulene derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2007-01-30 — — US disclosed
US-7169761-B2 Azulene derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2007-01-30 — — US disclosed
EP-1553094-A1 AZULENE DERIVATIVES AND SALTS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2005-07-13 — — EP disclosed
US-20050124555-A1 Azulene derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2005-06-09 — — 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-20050124555-A1 Azulene derivatives and salts thereof SLC5A1, SLC5A2, SLC2A1 HTR1A 2526/4885SSTR1 152/4885SSTR2 345/4885

“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.

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