SCHEMBL855287

SCHEMBL855287

CCCCc1ccc(NCc2ccc(N(C)C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
ALDH1A1 P00352 6/20 0.55
MAPT P10636 6/20 0.55
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
L3MBTL1 Q9Y468 4/20 0.55
NOS1 P29475 1/20 0.49
HPGD P15428 2/20 0.49
CNR2 P34972 1/20 0.49
KMT2A Q03164 3/20 0.47
TP53 P04637 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
GFER P55789 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 4/20 0.46
MAPK1 P28482 3/20 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
SCHEMBL855615 0.94 CA1 (0.54) CA1CA2CA9ALDH1A1MAPT
SCHEMBL855265 0.90 CA1 (0.59) CA1CA2CA9ALDH1A1MAPT
SCHEMBL856237 0.86 CA1 (0.70) CA1CA2CA9ALDH1A1MAPT
SCHEMBL727512 0.84 ALDH1A1 (0.56) CA1CA2ALDH1A1HPGDTP53
SCHEMBL855663 0.83 ALDH1A1 (0.64) CA1CA2CA9ALDH1A1MAPT
Hydrochloric Acid SCHEMBL2868873 0.82 ALDH1A1 (0.54) CA1CA2ALDH1A1HPGDTP53
SCHEMBL11934781 0.81 HPGD (0.47) ALDH1A1MAPTNPC1RAB9AL3MBTL1
SCHEMBL854394 0.81 HTT (0.59) CA1CA2CA9ALDH1A1KMT2A
SCHEMBL10931913 0.81 SPHK1 (0.58) ALDH1A1TP53LMNAKDM4EHSD17B10
SCHEMBL11934785 0.80 SPHK1 (0.47) ALDH1A1MAPTL3MBTL1HPGDKMT2A

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 CA1 2217/4885CA2 4353/4885CA9 4324/4885
US-20100041656-A1 Novel amide derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 CA1 1182/4885CA2 3196/4885CA9 3608/4885
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs C5AR1, C5AR2, C1S CA1 1620/4885CA2 3991/4885CA9 3969/4885

“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.