SCHEMBL855529

SCHEMBL855529

CC(C)c1ccc(NCc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 3/20 0.45
EGFR P00533 1/20 0.45
KDR P35968 1/20 0.45
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
THRB P10828 2/20 0.44
XBP1 P17861 2/20 0.44
BLM P54132 2/20 0.44
LMNA P02545 2/20 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
SCHEMBL11510338 0.86 MAPT (0.57) MAPTTDP1MEN1KMT2ACYP1A2
SCHEMBL31478745 0.80 MAPT (0.60) MAPTTDP1MEN1KMT2ACYP1A2
SCHEMBL5537374 0.77 MAPT (0.49) MAPTTDP1MEN1KMT2ACYP1A2
SCHEMBL855985 0.76 RAB9A (0.62) MAPTTDP1MEN1KMT2ACYP1A2
SCHEMBL19145072 0.75 ADRB2 (0.46) MEN1KMT2AHTTEGFRKDR
SCHEMBL20490166 0.75 HDAC4 (0.51) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL11512272 0.75 MAPT (0.56) MAPTTDP1MEN1KMT2ACYP1A2
SCHEMBL855491 0.74 MAPT (0.55) MAPTTDP1MEN1KMT2AHTT
SCHEMBL2647752 0.74 MEN1 (0.57) MAPTTDP1MEN1KMT2ACYP1A2
SCHEMBL11231501 0.74 CA1 (0.57) MAPTTDP1MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1308438-B9 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-28 EP disclosed
EP-1308438-B1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2010-10-20 EP disclosed
US-7105567-B2 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-09-12 US disclosed
US-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-11-06 US disclosed
EP-1308438-A1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-05-07 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-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 MAPT 205/4885TDP1 3698/4885MEN1 2053/4885

“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.