SCHEMBL1845562

SCHEMBL1845562

CC(C)c1ccc(NCc2ccc(N(C)C)cc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 4/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
GFER P55789 2/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
GAA P10253 3/20 0.47
KDM4E B2RXH2 2/20 0.46
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL13341001 0.82 HTT (0.50) ALDH1A1KMT2AHTTCA1CA2
SCHEMBL856237 0.78 CA1 (0.70) MAPTALDH1A1TDP1KMT2ALMNA
SCHEMBL854384 0.77 CA1 (0.57) MAPTALDH1A1TDP1KMT2ALMNA
SCHEMBL1846278 0.77 HDAC1 (0.51) MAPTALDH1A1TDP1KMT2ALMNA
SCHEMBL1845515 0.75 NPC1 (0.51) MAPTALDH1A1TDP1KMT2ALMNA
SCHEMBL12868042 0.74 ALDH1A1 (0.42) MAPTALDH1A1TDP1KDM4ETP53
SCHEMBL855107 0.73 CA1 (0.60) MAPTALDH1A1TDP1KMT2ALMNA
SCHEMBL16668814 0.72 RAB9A (0.69) MAPTALDH1A1TDP1KMT2ALMNA
SCHEMBL30299173 0.72 RAB9A (0.69) MAPTALDH1A1TDP1KMT2ALMNA
SCHEMBL855759 0.72 ALDH1A1 (0.62) MAPTALDH1A1TDP1KMT2ALMNA

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 7 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-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
US-20100041656-A1 Novel amide derivatives and medicinal use thereof NAKAMURA MITSUBARU 2010-02-18 US disclosed
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-15 US disclosed
EP-1318140-A1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF UGS Mitsubishi Pharma Corporation (JP) 2003-06-11 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 (2 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-20100041656-A1 Novel amide derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 MAPT 728/4885ALDH1A1 2539/4885TDP1 4690/4885
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs C5AR1, C5AR2, C1S MAPT 700/4885ALDH1A1 2529/4885TDP1 4569/4885

“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.