SCHEMBL3093801

SCHEMBL3093801

COc1ccc(-n2nc(C3CCNCC3)cc2-c2ccc(OC)c(C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PTGS2 P35354 7/20 0.45
▸ PTGS1 P23219 6/20 0.45
▸ MAPT P10636 1/20 0.43
▸ CACNA1B Q00975 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ PDE4D Q08499 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ HIF1A Q16665 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
SCHEMBL3100346 0.90 MEN1 (0.52) MEN1KMT2APTGS2PTGS1CACNA1B
SCHEMBL3105412 0.88 PTGS2 (0.46) MEN1KMT2APTGS2PTGS1MAPT
SCHEMBL3096791 0.88 MEN1 (0.48) MEN1KMT2APTGS2PTGS1MAPT
SCHEMBL3093919 0.84 KCNJ6 (0.50) MEN1KMT2APTGS2PTGS1CACNA1B
SCHEMBL3093815 0.84 MAPT (0.47) MEN1KMT2AMAPTPLATKCNJ6
SCHEMBL3097657 0.83 MAPT (0.42) MEN1KMT2AMAPTTLR9TLR7
SCHEMBL3104892 0.82 MEN1 (0.45) MEN1KMT2APTGS2PTGS1CACNA1B
SCHEMBL3098825 0.82 PTGS2 (0.42) PTGS2PTGS1KCNJ6KCNJ3RPA1
SCHEMBL3098736 0.80 HTT (0.54) MEN1KMT2AMAPTTSHR
SCHEMBL13993244 0.79 MEN1 (0.42) MEN1KMT2APTGS2PTGS1MAPT

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 MEN1 1635/4885KMT2A 3421/4885PTGS2 567/4885

“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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