SCHEMBL854812

SCHEMBL854812

CC(C)c1ccc(N(Cc2ccc(OCC(F)(F)F)cc2)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.44
CACNA1H O95180 1/20 0.44
CNR2 P34972 1/20 0.44
KCNH2 Q12809 1/20 0.44
CACNA1I Q9P0X4 1/20 0.44
CYP3A4 P08684 2/20 0.42
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TP53 P04637 2/20 0.38
POLB P06746 1/20 0.38
GCGR P47871 1/20 0.37
GIPR P48546 1/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37

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
SCHEMBL855238 0.87 MTOR (0.41) LMNAUBE2MDCUN1D1
SCHEMBL856560 0.87 SMN1; SMN2 (0.46) LMNAUBE2MDCUN1D1
SCHEMBL5049340 0.86 POLB (0.45) ALDH1A1TP53POLB
SCHEMBL854468 0.85 RXRA (0.48) CYP3A4LMNAGAA
SCHEMBL854986 0.84 SMN1; SMN2 (0.41) MAPTLMNA
SCHEMBL854382 0.82 SOAT1 (0.47) LMNAUBE2MDCUN1D1
SCHEMBL855945 0.82 SOAT2 (0.47) LMNAUBE2MDCUN1D1
SCHEMBL855085 0.82 SMN1; SMN2 (0.45) CNR2
SCHEMBL856005 0.81 SMN1; SMN2 (0.41) LMNAALDH1A1UBE2MDCUN1D1
SCHEMBL855132 0.81 SOAT2 (0.44) CYP3A4MAPTLMNAGAAALDH1A1

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 CACNA1G 4341/4885CACNA1H 4070/4885CNR2 949/4885

“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.