SCHEMBL6000298

SCHEMBL6000298

CC(C)Cc1ccc(CN(C)c2ccc(-c3csc(CN(C)C(Cc4ccccc4)C(=O)O)n3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
DHODH Q02127 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
ALOX5 P09917 1/20 0.38
GSTO1 P78417 1/20 0.37
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MMP13 P45452 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36

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
SCHEMBL6000955 0.90 NR4A2 (0.41) NR4A2MEN1KMT2AL3MBTL1ROCK2
SCHEMBL6001079 0.88 PTPN2 (0.45) NR4A2MEN1KMT2AL3MBTL1ROCK2
SCHEMBL6001086 0.88 PTPN2 (0.45) NR4A2MEN1KMT2AL3MBTL1ROCK2
SCHEMBL6000709 0.86 MMP13 (0.43) MEN1KMT2AL3MBTL1DHODHROCK2
SCHEMBL6000305 0.84 MEN1 (0.48) NR4A2MEN1KMT2AL3MBTL1ROCK2
SCHEMBL6000909 0.82 KMT2A (0.38) MEN1KMT2AL3MBTL1DHODHROCK2
SCHEMBL6000667 0.82 PTPN1 (0.45) NR4A2MEN1KMT2AL3MBTL1ROCK2
SCHEMBL6000580 0.80 PTPN2 (0.36) MEN1KMT2AL3MBTL1DHODHROCK2
SCHEMBL6000721 0.80 PTPN2 (0.42) MEN1KMT2AL3MBTL1DHODHROCK2
SCHEMBL6000779 0.79 PTPN2 (0.41) MEN1KMT2AL3MBTL1MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US claimed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 EP claimed
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US disclosed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 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 (1 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-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof PTPN11, PTPN1, PTPN3 NR4A2 504/4885MEN1 4550/4885KMT2A 3203/4885

“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.