SCHEMBL11133

SCHEMBL11133

[O-][S+]1CCN(CCCCO)CC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.36
PNMT P11086 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL10969 0.93 MEN1 (0.33) HRH3KDM4EALDH1A1
SCHEMBL11311 0.84 ALDH1A1 (0.43) HRH3KDM4EALDH1A1
SCHEMBL16553360 0.78 GNAO1 (0.48) KDM4E
SCHEMBL11483699 0.78
SCHEMBL10482481 0.77 GNAO1 (0.52) KDM4E
SCHEMBL11899867 0.76 HRH3 (0.52) HRH3PNMTKDM4EALDH1A1
SCHEMBL11482886 0.76 HRH3 (0.52) HRH3PNMTKDM4EALDH1A1
SCHEMBL11484139 0.76 HRH3 (0.52) HRH3PNMTKDM4EALDH1A1
SCHEMBL11486700 0.76 HRH3 (0.52) HRH3PNMTKDM4EALDH1A1
SCHEMBL11484221 0.76

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-20090047278-A1 Novel Combinational Use of Sulfonamide Compound EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-02-19 US disclosed
EP-1859793-A1 NOVEL COMBINATIONAL USE OF SULFONAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-11-28 EP disclosed
US-5770599-A RECEPTOR TYROSINE KINASE INHIBITORS including 4-(3'-chloro-4'-fluoroanilino)-7-methoxy-6-(2-morpholinoethoxy)quinazoline (gefitinib) ZENECA LIMITED (GB) 1998-06-23 US disclosed
EP-0823900-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1998-02-18 EP disclosed
WO-1996033980-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1996-10-31 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-20090047278-A1 Novel Combinational Use of Sulfonamide Compound EGFR, KIT, ERBB2 HRH3 1528/4885PNMT 4508/4885KDM4E 2562/4885

“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.