SCHEMBL3359631

SCHEMBL3359631

c1ccc(COn2nc3ccccc3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 3/20 0.42
DHFR P00374 6/20 0.41
IDO1 P14902 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AGXT P21549 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL27939335 0.71 ALDH1A1 (0.36) TSHRHPGDKMT2AMEN1NPSR1
SCHEMBL9672155 0.68 CYP11B1 (0.53) TSHRHPGDKMT2AMEN1NPSR1
SCHEMBL27792150 0.67 TSHR (0.50) TSHRKMT2AALDH1A1IDO1L3MBTL1
SCHEMBL9304768 0.67 CYP19A1 (0.58) HPGDKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL28598923 0.67 TSHR (0.50) TSHRALDH1A1IDO1AGXTCYP1A2
SCHEMBL4581854 0.67 NOTUM (0.41) TSHRHPGDKMT2AMEN1NPSR1
SCHEMBL3269756 0.65 ALDH1A1 (0.58) TSHRHPGDKMT2AMEN1NPSR1
SCHEMBL223907 0.64 TSHR (0.78) TSHRALDH1A1IDO1AGXTKDM4E
SCHEMBL99339 0.64 TSHR (0.41) TSHRALDH1A1DHFRIDO1AGXT
SCHEMBL2982806 0.64 TSHR (0.46) TSHRALDH1A1DHFRIDO1AGXT

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-7655769-B2 Orthogonally protected disaccharide building blocks for synthesis of heparin ACADEMIA SINICA (TW) 2010-02-02 US disclosed
US-7582737-B2 Orthogonally protected disaccharide building blocks for synthesis of heparin oligosaccharides ACADEMIA SINICA (TW) 2009-09-01 US disclosed
US-20080171722-A1 Heparin Oligosaccharides ACADEMIA SINICA, OFFICE OF PUBLIC AFFAIRS (TECHNOLOGY TRANSFER) (TW) 2008-07-17 US disclosed
US-20060079483-A1 Heparin oligosaccharides ACADEMIA SINICA (TW) 2006-04-13 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 (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-20080171722-A1 Heparin Oligosaccharides HPSE, FUT5, CSGALNACT1 TSHR 2339/4885HPGD 759/4885KMT2A 3326/4885
US-20060079483-A1 Heparin oligosaccharides HPSE, FUT5, CSGALNACT1 TSHR 2339/4885HPGD 759/4885KMT2A 3326/4885

“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.