SCHEMBL854987

SCHEMBL854987

CC(C)c1ccc(NCc2cnn(Cc3ccccc3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 0.46
SCD O00767 2/20 0.46
SCD5 Q86SK9 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
ACACB O00763 1/20 0.44
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
CASR P41180 1/20 0.41
HTT P42858 2/20 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
SCHEMBL856262 0.84 PTGDR2 (0.41) L3MBTL1ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL854697 0.84 JAK3 (0.47) NPBWR1MCHR1L3MBTL1ALDH1A1MAPT
SCHEMBL1843101 0.81 SMN1; SMN2 (0.45) NPBWR1MCHR1L3MBTL1ALDH1A1MAPT
SCHEMBL10141551 0.79 L3MBTL1 (0.59) SCDSCD5L3MBTL1ACACBALDH1A1
SCHEMBL25833890 0.79 HTT (0.63) L3MBTL1ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL855917 0.78 NPC1 (0.39) NPBWR1MCHR1L3MBTL1ALDH1A1MAPT
SCHEMBL856389 0.78 NPC1 (0.40) NPBWR1MCHR1L3MBTL1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL30874853 0.77 HTT (0.61) L3MBTL1ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL3633819 0.76 SLC27A1 (0.46) SCDSCD5L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL14920037 0.76 L3MBTL1 (0.56) SCDSCD5L3MBTL1ACACBMAPT

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 NPBWR1 610/4885MCHR1 2942/4885SCD 2456/4885
US-20100041656-A1 Novel amide derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 NPBWR1 309/4885MCHR1 3621/4885SCD 1765/4885
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs C5AR1, C5AR2, C1S NPBWR1 454/4885MCHR1 3300/4885SCD 1339/4885

“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.