SCHEMBL5452223

SCHEMBL5452223

COc1cc(NC(=O)Nc2ccc3c(c2)CCN(C(=O)O)C3)cc(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 2/20 0.55
KMT2A Q03164 3/20 0.55
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
POLB P06746 1/20 0.54
CASP3 P42574 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
KCNA1 Q09470 2/20 0.52
KCNAB1 Q14722 2/20 0.52
NAMPT P43490 1/20 0.49
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
MEN1 O00255 2/20 0.47
THRB P10828 2/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL3402909 0.91 NPC1 (0.67) TMPRSS2KMT2ANPC1RAB9APOLB
SCHEMBL5467142 0.86 ESR2 (0.58) TMPRSS2KMT2ANPC1RAB9APOLB
SCHEMBL5458367 0.84 RAB9A (0.69) KMT2ANPC1RAB9APOLBCASP3
SCHEMBL3404203 0.83 THRB (0.49) TMPRSS2KMT2ANPC1RAB9APOLB
SCHEMBL3405294 0.83 RAB9A (0.63) TMPRSS2KMT2ANPC1RAB9ACASP3
SCHEMBL5469377 0.81 POLB (0.55) TMPRSS2KMT2ANPC1RAB9APOLB
SCHEMBL10004669 0.81 THRB (0.45) TMPRSS2KMT2ANPC1RAB9APOLB
SCHEMBL10004662 0.81 THRB (0.45) TMPRSS2KMT2ANPC1RAB9APOLB
SCHEMBL5460595 0.81 CASP3 (0.70) TMPRSS2KMT2ANPC1RAB9ACASP3
SCHEMBL11295872 0.80 ESR1 (0.71) TMPRSS2KMT2ANPC1RAB9AESR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 US disclosed
EP-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 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-20070249620-A1 Urea Derivative UGP2, SLC14A1, DGAT1 TMPRSS2 3127/4885KMT2A 1350/4885NPC1 1089/4885

“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.