SCHEMBL3104965

SCHEMBL3104965

COc1ccc(C(=O)C(OC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)c2ccc(C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.52
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.47
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
MMP7 P09237 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 3/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL3097183 1.00 NPSR1 (0.52) NPSR1CHRM2CHRM1SMN1; SMN2NPC1
SCHEMBL3108038 0.96 CHRM2 (0.54) NPSR1CHRM2CHRM1SMN1; SMN2NPC1
SCHEMBL27763127 0.93 CHRM2 (0.51) NPSR1CHRM2CHRM1SMN1; SMN2NPC1
SCHEMBL3088679 0.92 CHRM2 (0.51) NPSR1CHRM2CHRM1SMN1; SMN2NPC1
SCHEMBL3105503 0.91 CHRM2 (0.50) NPSR1CHRM2CHRM1SMN1; SMN2NPC1
SCHEMBL3108227 0.91 CHRM2 (0.49) NPSR1CHRM2CHRM1SMN1; SMN2NPC1
SCHEMBL13158277 0.90 SMN1; SMN2 (0.51) NPSR1CHRM2CHRM1SMN1; SMN2NPC1
SCHEMBL3098993 0.90 CHRM2 (0.49) NPSR1CHRM2CHRM1SMN1; SMN2NPC1
SCHEMBL3096371 0.86 RAB9A (0.47) NPSR1CHRM2CHRM1SMN1; SMN2NPC1
SCHEMBL13158280 0.81 SMN1; SMN2 (0.51) NPSR1SMN1; SMN2NPC1RAB9ACYP2C19

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
CN-101454299-A Ureide derivative and use thereof for medical purposes TORAY INDUSTRIES (JP) 2009-06-10 CN 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 NPSR1 153/4885CHRM2 2218/4885CHRM1 3470/4885

“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.