SCHEMBL855599

SCHEMBL855599

CC(C)c1ccccc1N(Cc1cnn(Cc2ccccc2)c1)C(=O)Nc1c(C(C)C)cccc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCD O00767 6/20 0.46
SCD5 Q86SK9 6/20 0.46
ALDH1A1 P00352 1/20 0.41
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
SOAT2 O75908 2/20 0.40
SOAT1 P35610 2/20 0.40
ACACB O00763 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL855600 0.88 SCD (0.44) SCDSCD5ALDH1A1UBE2MDCUN1D1
SCHEMBL855524 0.78 JAK3 (0.38) ALDH1A1UBE2MDCUN1D1LMNAKMT2A
SCHEMBL854884 0.78 NPSR1 (0.37) SCDSCD5ALDH1A1LMNAKMT2A
SCHEMBL854157 0.75 SOAT2 (0.47) ALDH1A1UBE2MDCUN1D1SOAT2SOAT1
SCHEMBL855625 0.74 SOAT2 (0.52) ALDH1A1UBE2MDCUN1D1SOAT2SOAT1
SCHEMBL881090 0.73 NR1H4 (0.34) SCDSCD5ALDH1A1UBE2MDCUN1D1
SCHEMBL881103 0.72 ACACB (0.39) SCDSCD5ALDH1A1ACACBKMT2A
SCHEMBL855597 0.72 SOAT1 (0.41) SOAT1
Hydrochloric Acid SCHEMBL855630 0.72 NR1H4 (0.34) SCDSCD5ALDH1A1UBE2MDCUN1D1
SCHEMBL881081 0.72 SOAT2 (0.55) UBE2MDCUN1D1SOAT2SOAT1LMNA

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 SCD 2456/4885SCD5 1813/4885ALDH1A1 2416/4885

“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.