SCHEMBL854884

SCHEMBL854884

CC(C)c1ccc(N(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 2/20 0.37
SCD5 Q86SK9 3/20 0.36
SCD O00767 2/20 0.36
LMNA P02545 4/20 0.35
HIF1A Q16665 1/20 0.35
PDK1 Q15118 1/20 0.35
KLKB1 P03952 2/20 0.34
LDHB P07195 1/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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 0.90 SCD (0.44) NPSR1KDM4ESCD5SCDLMNA
SCHEMBL855238 0.87 MTOR (0.41) NPSR1KDM4ELMNAPDK1KMT2A
SCHEMBL855524 0.85 JAK3 (0.38) NPSR1LMNAMAPTALDH1A1MEN1
SCHEMBL855597 0.80 SOAT1 (0.41)
SCHEMBL881090 0.80 NR1H4 (0.34) NPSR1KDM4ESCD5SCDMAPT
Hydrochloric Acid SCHEMBL855630 0.80 NR1H4 (0.34) NPSR1KDM4ESCD5SCDMAPT
SCHEMBL856654 0.79 SOAT2 (0.44) NPSR1KDM4ELMNAPDK1KMT2A
SCHEMBL856560 0.79 SMN1; SMN2 (0.46) LMNAKMT2ASMN1; SMN2
SCHEMBL855599 0.78 SCD (0.46) SCD5SCDLMNAALDH1A1KMT2A
SCHEMBL854382 0.77 SOAT1 (0.47) LMNAKMT2ASMN1; 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 NPSR1 536/4885KDM4E 4450/4885SCD5 1813/4885

“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.