SCHEMBL855987

SCHEMBL855987

CC(C)c1cccc(NCc2ccc(N(C)C)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MAPT P10636 5/20 0.46
ALDH1A1 P00352 4/20 0.46
GAA P10253 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
GFER P55789 2/20 0.46
TSHR P16473 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
NOS1 P29475 2/20 0.45
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 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
SCHEMBL854384 0.81 CA1 (0.57) NPC1RAB9AL3MBTL1MAPTALDH1A1
SCHEMBL855757 0.77 CA1 (0.59) NPC1RAB9AL3MBTL1MAPTALDH1A1
SCHEMBL21965230 0.77 MAPT (0.52) NPC1RAB9AL3MBTL1MAPTALDH1A1
SCHEMBL17813061 0.76 INSR (0.57) NPC1RAB9AL3MBTL1MAPTALDH1A1
SCHEMBL18664647 0.75 NPC1 (0.46) NPC1RAB9AL3MBTL1MAPTALDH1A1
SCHEMBL18640455 0.75 ALDH1A1 (0.49) NPC1RAB9AL3MBTL1MAPTALDH1A1
SCHEMBL856237 0.75 CA1 (0.70) NPC1RAB9AL3MBTL1MAPTALDH1A1
SCHEMBL856263 0.74 CA1 (0.52) NPC1RAB9AL3MBTL1MAPTALDH1A1
SCHEMBL12510122 0.73 NOS1 (0.57) MAPTALDH1A1GAAKMT2AHTT
SCHEMBL8168328 0.72 GRIN2D (0.45) MAPTALDH1A1TDP1KMT2AHTT

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 NPC1 2296/4885RAB9A 2045/4885L3MBTL1 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.