SCHEMBL855989

SCHEMBL855989

CC(C)c1cccc(N(Cc2ccc(N(C)C)cc2)C(=O)Nc2c(C(C)C)cccc2C(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.46
SOAT2 O75908 1/20 0.44
ACAT1 P24752 1/20 0.44
SOAT1 P35610 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.40
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 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
SCHEMBL855945 0.90 SOAT2 (0.47) NR1H4SOAT2ACAT1SOAT1SMN1; SMN2
SCHEMBL855709 0.90 SOAT2 (0.50) NR1H4SOAT2ACAT1SOAT1SMN1; SMN2
SCHEMBL855984 0.89 SOAT2 (0.47) NR1H4SOAT2ACAT1SOAT1UBE2M
SCHEMBL855316 0.87 SOAT2 (0.44) NR1H4SOAT2ACAT1SOAT1SMN1; SMN2
SCHEMBL854758 0.85 SOAT2 (0.47) NR1H4SOAT2ACAT1SOAT1SMN1; SMN2
SCHEMBL854439 0.85 SOAT2 (0.47) NR1H4SOAT2ACAT1SOAT1SMN1; SMN2
SCHEMBL856560 0.85 SMN1; SMN2 (0.46) SOAT2SOAT1SMN1; SMN2UBE2MDCUN1D1
SCHEMBL856052 0.84 SOAT2 (0.46) NR1H4SOAT2ACAT1SOAT1SMN1; SMN2
SCHEMBL854639 0.84 SOAT2 (0.46) NR1H4SOAT2ACAT1SOAT1SMN1; SMN2
SCHEMBL855915 0.84 SOAT2 (0.46) NR1H4SOAT2ACAT1SOAT1SMN1; SMN2

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 NR1H4 141/4885SOAT2 3181/4885ACAT1 1730/4885

“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.