SCHEMBL854751

SCHEMBL854751

CC(C)c1ccc(NCc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.67
ALDH1A1 P00352 8/20 0.67
MEN1 O00255 6/20 0.67
KMT2A Q03164 6/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
MAPK1 P28482 3/20 0.60
TDP1 Q9NUW8 3/20 0.60
KDM4E B2RXH2 5/20 0.59
ALOX12 P18054 3/20 0.59
USP2 O75604 2/20 0.59
LMNA P02545 2/20 0.59
THRB P10828 2/20 0.59
HPGD P15428 1/20 0.59
CASP1 P29466 1/20 0.59
HTT P42858 1/20 0.59
CASP7 P55210 1/20 0.59
HBB P68871 1/20 0.59
ALOX15 P16050 3/20 0.57
HSD17B10 Q99714 2/20 0.57
INSR P06213 2/20 0.57

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
SCHEMBL11119339 0.84 MEN1 (0.65) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL19476128 0.84 ALDH1A1 (0.83) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2979012 0.84 MAPT (0.64) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10057818 0.83 INSR (0.77) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL2989075 0.82 MAPT (0.63) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9672474 0.80 MAPT (0.63) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1846002 0.80 ALDH1A1 (0.67) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11556034 0.78 MAPT (0.61) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL854818 0.78 L3MBTL1 (0.64) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11230733 0.76 ALDH1A1 (0.70) MAPTALDH1A1MEN1KMT2ASMN1; SMN2

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 MAPT 205/4885ALDH1A1 2416/4885MEN1 2053/4885
US-20100041656-A1 Novel amide derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 MAPT 728/4885ALDH1A1 2539/4885MEN1 3412/4885
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs C5AR1, C5AR2, C1S MAPT 700/4885ALDH1A1 2529/4885MEN1 3426/4885

“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.