SCHEMBL3097657

SCHEMBL3097657

COc1ccc(-n2nc(C3CCNCC3)cc2-c2ccc(OC)cc2OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TLR9 Q9NR96 1/20 0.41
▸ TLR7 Q9NYK1 1/20 0.41
▸ PLAT P00750 2/20 0.40
▸ HTR2C P28335 2/20 0.40
▸ KCNJ6 P48051 2/20 0.39
▸ KCNJ3 P48549 2/20 0.39
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ KCNJ5 P48544 1/20 0.38
▸ HTT P42858 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ JUND P17535 1/20 0.38
▸ FOSB P53539 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
SCHEMBL3093815 0.86 MAPT (0.47) MAPTKMT2AMEN1PLATKCNJ6
SCHEMBL3100346 0.85 MEN1 (0.52) KMT2AMEN1PLATKCNJ6KCNJ3
SCHEMBL3093801 0.83 MEN1 (0.46) MAPTKMT2AMEN1TLR9TLR7
SCHEMBL3105412 0.82 PTGS2 (0.46) MAPTKMT2AMEN1PLATTSHR
SCHEMBL3100756 0.81 CARM1 (0.44) KMT2AMEN1PLATHTR2CKCNJ6
SCHEMBL3096791 0.81 MEN1 (0.48) MAPTKMT2AMEN1TSHRCYP1A2
SCHEMBL3104558 0.80 KCNJ6 (0.41) MAPTKMT2AMEN1TLR9TLR7
SCHEMBL3093919 0.80 KCNJ6 (0.50) KMT2AMEN1KCNJ6KCNJ3TSHR
SCHEMBL3100509 0.78 MEN1 (0.55) MAPTKMT2AMEN1TSHRHSD17B10
SCHEMBL3104892 0.78 MEN1 (0.45) KMT2AMEN1PLATKCNJ6KCNJ3

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-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 — — US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 — — US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 — — US disclosed
EP-2009006-A1 UREIDE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2008-12-31 — — 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-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF UROD, UTS2R, SLC14A1 MAPT 414/4885KMT2A 3421/4885MEN1 1635/4885

“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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