SCHEMBL855663

SCHEMBL855663

CCc1ccc(NCc2ccc(N(C)C)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
MAPT P10636 4/20 0.64
L3MBTL1 Q9Y468 3/20 0.64
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
KMT2A Q03164 3/20 0.62
GAA P10253 3/20 0.62
MAPK1 P28482 2/20 0.62
POLB P06746 2/20 0.62
MEN1 O00255 1/20 0.62
APAF1 O14727 1/20 0.62
USP2 O75604 1/20 0.62
HPGD P15428 1/20 0.62
ALOX15 P16050 1/20 0.62
ALOX12 P18054 1/20 0.62
CASP1 P29466 1/20 0.62
BLM P54132 1/20 0.62
HSD17B10 Q99714 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62

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
SCHEMBL856237 0.92 CA1 (0.70) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL8060137 0.86 MEN1 (0.80) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL3058882 0.86 CNR2 (0.73) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL855265 0.86 CA1 (0.59) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL855759 0.85 ALDH1A1 (0.62) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL2990622 0.84 CA1 (0.65) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL855107 0.84 CA1 (0.60) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL16846471 0.84 CA1 (0.60) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL855496 0.84 AGER (0.61) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL854854 0.84 CNR2 (0.71) ALDH1A1MAPTL3MBTL1NPC1RAB9A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1318140-B9 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-05-21 EP disclosed
US-8198454-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-12 US disclosed
EP-1308438-B9 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-28 EP disclosed
EP-1318140-B1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2011-05-18 EP disclosed
US-7855297-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-12-21 US disclosed
EP-1308438-B1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2010-10-20 EP disclosed
US-20100041656-A1 Novel amide derivatives and medicinal use thereof NAKAMURA MITSUBARU 2010-02-18 US disclosed
US-7105567-B2 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-09-12 US disclosed
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-15 US disclosed
US-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-11-06 US disclosed
EP-1318140-A1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF UGS Mitsubishi Pharma Corporation (JP) 2003-06-11 EP 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 (3 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 ALDH1A1 2416/4885MAPT 205/4885L3MBTL1 1480/4885
US-20100041656-A1 Novel amide derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 ALDH1A1 2539/4885MAPT 728/4885L3MBTL1 1629/4885
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs C5AR1, C5AR2, C1S ALDH1A1 2529/4885MAPT 700/4885L3MBTL1 1732/4885

“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.