SCHEMBL854440

SCHEMBL854440

CCCCCCCCc1ccc(NCc2ccc(OC)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
GAA P10253 4/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
RAB9A P51151 3/20 0.60
NPC1 O15118 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
FFAR1 O14842 1/20 0.59
LMNA P02545 3/20 0.58
HTT P42858 1/20 0.58
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
HPGD P15428 1/20 0.53
ALOX12 P18054 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL10931913 0.89 SPHK1 (0.58) LMNAALDH1A1KDM4EHIF1AACHE
SCHEMBL854985 0.88 MEN1 (0.57) MAPTGAAL3MBTL1MEN1KMT2A
SCHEMBL4055705 0.85 CASP3 (0.61) MAPTGAAL3MBTL1MEN1KMT2A
SCHEMBL10533113 0.85 CASP3 (0.61) MAPTGAAL3MBTL1MEN1KMT2A
SCHEMBL28861182 0.85 CASP3 (0.61) MAPTGAAL3MBTL1MEN1KMT2A
SCHEMBL10571533 0.85 CASP3 (0.61) MAPTGAAL3MBTL1MEN1KMT2A
SCHEMBL2615719 0.85 CASP3 (0.61) MAPTGAAL3MBTL1MEN1KMT2A
SCHEMBL10534584 0.85 CASP3 (0.61) MAPTGAAL3MBTL1MEN1KMT2A
SCHEMBL3220040 0.85 CASP3 (0.61) MAPTGAAL3MBTL1MEN1KMT2A
SCHEMBL3220290 0.85 CASP3 (0.61) MAPTGAAL3MBTL1MEN1KMT2A

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 MAPT 205/4885GAA 3681/4885L3MBTL1 1480/4885

“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.