SCHEMBL855494

SCHEMBL855494

CC(C)c1ccc(CNc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 2/20 0.50
ALOX15 P16050 2/20 0.50
ALOX12 P18054 2/20 0.50
MAPK1 P28482 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 1/20 0.50
FFAR1 O14842 2/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.46
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL861100 0.90 FFAR1 (0.57) NPC1RAB9APOLBMAPTL3MBTL1
SCHEMBL854818 0.84 L3MBTL1 (0.64) NPC1RAB9APOLBMAPTL3MBTL1
SCHEMBL11935890 0.83 MEN1 (0.49) MAPTL3MBTL1ALDH1A1FFAR1MEN1
SCHEMBL855985 0.81 RAB9A (0.62) NPC1RAB9APOLBMAPTL3MBTL1
SCHEMBL6078208 0.79 MEN1 (0.57) RAB9APOLBMAPTL3MBTL1FFAR1
SCHEMBL11936066 0.79 GRIN1 (0.48) MAPTL3MBTL1ALDH1A1FFAR1MEN1
SCHEMBL11511690 0.79 MEN1 (0.60) MAPTL3MBTL1GAATDP1FFAR1
SCHEMBL856263 0.79 CA1 (0.52) NPC1RAB9AMAPTL3MBTL1SMN1; SMN2
SCHEMBL17480805 0.77 MAPT (0.62) NPC1RAB9APOLBMAPTL3MBTL1
SCHEMBL11935866 0.77 L3MBTL1 (0.57) NPC1RAB9APOLBMAPTL3MBTL1

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 2045/4885POLB 2687/4885

“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.