SCHEMBL3099088

SCHEMBL3099088

COc1ccc(-c2nc(C3CCN(C(=O)N(C)OCC(=O)O)CC3)oc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.44
LMNA P02545 1/20 0.42
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
TNKS O95271 1/20 0.38
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
PTGIR P43119 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL3099457 0.89 HTT (0.42) PPARDLMNAMAPTTP53THRB
SCHEMBL3098385 0.89 LMNA (0.46) PPARDLMNAMAPTTP53TNKS
SCHEMBL13157669 0.89 LMNA (0.44) PPARDLMNAMAPTTP53TNKS
SCHEMBL13157673 0.86 LMNA (0.44) PPARDLMNAMAPTTP53TNKS
SCHEMBL3088781 0.86 LMNA (0.47) PPARDLMNAMAPTTP53TNKS
SCHEMBL3105215 0.85 LMNA (0.43) LMNAMAPTTP53THRB
SCHEMBL13157664 0.85 LMNA (0.43) PPARDLMNAMAPTTP53TNKS
SCHEMBL3102585 0.85 LMNA (0.45) PPARDLMNAMAPTTP53TNKS
SCHEMBL3109665 0.84 LMNA (0.48) PPARDLMNAMAPTTP53TNKS
SCHEMBL13182645 0.84 LMNA (0.48) PPARDLMNAMAPTTP53TNKS

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 PPARD 2514/4885LMNA 3156/4885MAPT 414/4885

“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.