SCHEMBL855763

SCHEMBL855763

CC(C)c1ccccc1NCc1ccc(N(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPK1 P28482 2/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
ALOX12 P18054 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ELANE P08246 1/20 0.41
USP1 O94782 1/20 0.41

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
SCHEMBL12859084 0.83 HSD17B10 (0.53) GAAMAPTTSHRL3MBTL1POLB
SCHEMBL855757 0.73 CA1 (0.59) GAANPC1RAB9AMAPTL3MBTL1
SCHEMBL4961331 0.72 L3MBTL1 (0.52) GAANPC1MAPTTSHRL3MBTL1
SCHEMBL854384 0.71 CA1 (0.57) GAANPC1RAB9AMAPTTSHR
SCHEMBL10490374 0.70 HSD17B10 (0.50) MAPTTSHRL3MBTL1MEN1KMT2A
SCHEMBL2698261 0.70 L3MBTL1 (0.50) NPC1MAPTTSHRL3MBTL1KMT2A
SCHEMBL856237 0.70 CA1 (0.70) GAANPC1RAB9AMAPTTSHR
SCHEMBL855987 0.70 NPC1 (0.47) GAANPC1RAB9AMAPTTSHR
SCHEMBL7345587 0.69 HTT (0.63) GAANPC1RAB9AMAPTL3MBTL1
SCHEMBL28864994 0.69 HSD17B10 (0.49) MAPTTSHRL3MBTL1MEN1KMT2A

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 GAA 3681/4885NPC1 2296/4885RAB9A 2045/4885

“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.