SCHEMBL855491

SCHEMBL855491

Cc1ccc(CNc2ccc(C(C)C)cc2)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
ALDH1A1 P00352 7/20 0.55
KDM4E B2RXH2 4/20 0.55
GAA P10253 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
CASP1 P29466 2/20 0.55
USP2 O75604 1/20 0.55
HBB P68871 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.45
MAPK1 P28482 3/20 0.45
ALOX12 P18054 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALOX15 P16050 1/20 0.40
HTT P42858 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
SCHEMBL20750963 0.81 MAPT (0.54) MAPTGAAMEN1KMT2AHPGD
SCHEMBL25614562 0.80 MAPT (0.47) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL17480805 0.76 MAPT (0.62) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL855529 0.74 MAPT (0.50) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL27801341 0.73 ALDH1A1 (0.65) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL13195646 0.72 ALDH1A1 (0.65) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL854818 0.71 L3MBTL1 (0.64) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL15476680 0.70 KDM4E (0.53) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL856273 0.70 MAPT (0.42) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL855657 0.70 APLNR (0.58) MAPTALDH1A1KDM4EGAAMEN1

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 205/4885ALDH1A1 2416/4885KDM4E 4450/4885

“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.