SCHEMBL855452

SCHEMBL855452

CCCc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.46
ACAT1 P24752 1/20 0.46
SOAT1 P35610 1/20 0.46
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL854608 0.95 SOAT2 (0.44) SOAT2ACAT1SOAT1UBE2MDCUN1D1
SCHEMBL855709 0.94 SOAT2 (0.50) SOAT2ACAT1SOAT1UBE2MDCUN1D1
SCHEMBL856232 0.93 SOAT1 (0.44) SOAT1
SCHEMBL854758 0.92 SOAT2 (0.47) SOAT2ACAT1SOAT1UBE2MDCUN1D1
SCHEMBL855984 0.91 SOAT2 (0.47) SOAT2ACAT1SOAT1UBE2MDCUN1D1
SCHEMBL855945 0.90 SOAT2 (0.47) SOAT2ACAT1SOAT1UBE2MDCUN1D1
SCHEMBL854439 0.90 SOAT2 (0.47) SOAT2ACAT1SOAT1SMN1; SMN2NR1H4
SCHEMBL854639 0.89 SOAT2 (0.46) SOAT2ACAT1SOAT1SMN1; SMN2NR1H4
SCHEMBL856052 0.89 SOAT2 (0.46) SOAT2ACAT1SOAT1SMN1; SMN2NR1H4
SCHEMBL855915 0.89 SOAT2 (0.46) SOAT2ACAT1SOAT1UBE2MDCUN1D1

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 10 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 claimed
EP-1308438-B1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2010-10-20 EP claimed
US-7105567-B2 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-09-12 US claimed
US-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-11-06 US claimed
EP-1308438-A1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-05-07 EP claimed
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 SOAT2 3181/4885ACAT1 1730/4885SOAT1 1923/4885

“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.