SCHEMBL855509

SCHEMBL855509

CCCCCCCCc1ccc(NCc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.65
MEN1 O00255 1/20 0.65
TP53 P04637 1/20 0.65
GAA P10253 1/20 0.65
BLM P54132 1/20 0.65
KMT2A Q03164 1/20 0.65
ATM Q13315 1/20 0.65
BCHE P06276 6/20 0.60
F2 P00734 2/20 0.60
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
MRGPRX1 Q96LB2 1/20 0.57
LTA4H P09960 1/20 0.52
EPHX2 P34913 1/20 0.52
AR P10275 1/20 0.52
KCNH2 Q12809 1/20 0.51
GRIN2B Q13224 1/20 0.51
MGLL Q99685 1/20 0.51

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
SCHEMBL11051776 0.88 LTA4H (0.66) BCHELTA4HEPHX2MGLL
SCHEMBL11835323 0.88 PLK1 (0.59) KCNH2
SCHEMBL6284506 0.88 LTA4H (0.66) BCHELTA4HEPHX2MGLL
SCHEMBL854760 0.88 PLK1 (0.59) KCNH2
SCHEMBL854985 0.86 MEN1 (0.57) MAPTMEN1GAAKMT2A
SCHEMBL6283332 0.86 LTA4H (0.68) BCHELTA4HEPHX2MGLL
SCHEMBL854851 0.85 FFAR1 (0.61) LTA4H
SCHEMBL855997 0.84 CACNA1B (0.58) MAPTMEN1TP53GAABLM
SCHEMBL3426470 0.83 PLK1 (0.61) MEN1TP53KMT2AKCNH2
SCHEMBL11838896 0.83 MAPT (0.84) MAPTMEN1TP53GAABLM

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 205/4885MEN1 2053/4885TP53 473/4885

“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.