SCHEMBL3098385

SCHEMBL3098385

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR2B P41595 1/20 0.38
THRB P10828 1/20 0.38
FAAH O00519 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
SCHEMBL13157673 0.91 LMNA (0.44) LMNAMAPTTP53HPGDALDH1A1
SCHEMBL3088781 0.91 LMNA (0.47) LMNAMAPTTP53HPGDALDH1A1
SCHEMBL3105215 0.90 LMNA (0.43) LMNAMAPTTP53HPGDALDH1A1
SCHEMBL3099088 0.89 PPARD (0.44) LMNAMAPTTP53THRBPPARD
SCHEMBL3102585 0.88 LMNA (0.45) LMNAMAPTTP53HPGDALDH1A1
SCHEMBL3109665 0.87 LMNA (0.48) LMNAMAPTTP53HPGDALDH1A1
SCHEMBL3105410 0.87 LMNA (0.44) LMNAMAPTTP53HPGDALDH1A1
SCHEMBL13182645 0.87 LMNA (0.48) LMNAMAPTTP53HPGDALDH1A1
SCHEMBL13182656 0.87 LMNA (0.44) LMNAMAPTTP53HPGDALDH1A1
SCHEMBL13157621 0.87 LMNA (0.44) LMNAMAPTTP53HPGDALDH1A1

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 LMNA 3156/4885MAPT 414/4885TP53 4730/4885

“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.