SCHEMBL855625

SCHEMBL855625

CC(C)c1cccc(C(C)C)c1NC(=O)N(Cc1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 2/20 0.52
SOAT1 P35610 2/20 0.52
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.51
UBE2M P61081 1/20 0.51
DCUN1D1 Q96GG9 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.46
ALOX12 P18054 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
PAX8 Q06710 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
SCHEMBL10189418 0.92 SOAT2 (0.48) SOAT2SOAT1LMNAKMT2AUBE2M
SCHEMBL881081 0.92 SOAT2 (0.55) SOAT2SOAT1LMNAKMT2AUBE2M
SCHEMBL853667 0.91 UBE2M (0.49) SOAT2SOAT1LMNAKMT2AUBE2M
SCHEMBL855984 0.91 SOAT2 (0.47) SOAT2SOAT1LMNAKMT2AUBE2M
SCHEMBL855668 0.87 UBE2M (0.48) SOAT2SOAT1UBE2MDCUN1D1
SCHEMBL856560 0.87 SMN1; SMN2 (0.46) SOAT2SOAT1LMNAKMT2AUBE2M
SCHEMBL855709 0.87 SOAT2 (0.50) SOAT2SOAT1LMNAKMT2AUBE2M
SCHEMBL855314 0.86 LMNA (0.43) SOAT2SOAT1LMNAKMT2AUBE2M
SCHEMBL856449 0.85 UBE2M (0.47) UBE2MDCUN1D1
SCHEMBL11143056 0.85 ALDH1A1 (0.58) SOAT2SOAT1LMNAKMT2AUBE2M

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 7 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-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
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 3181/4885SOAT1 1923/4885LMNA 3941/4885

“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.