SCHEMBL6000568

SCHEMBL6000568

CCC(CC)c1ccc(N(Cc2ccc(-c3ccc(CN(CC(=O)O)C(C)c4nc5ccccc5[nH]4)s3)cc2)C(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.37
KMT2A Q03164 2/20 0.35
RORC P51449 8/20 0.34
TDP1 Q9NUW8 1/20 0.33
PARP1 P09874 1/20 0.33
RORA P35398 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
RORB Q92753 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MLKL Q8NB16 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.31

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
SCHEMBL6000099 0.88 PTPN1 (0.38) PTPN1KMT2ATDP1PARP1ALDH1A1
SCHEMBL6000684 0.87 TDP1 (0.41) PTPN1RORCTDP1RORANR1H2
SCHEMBL6000022 0.81 TDP1 (0.40) PTPN1KMT2ARORCTDP1RORA
SCHEMBL5999256 0.81 PTPN2 (0.46) PTPN1KMT2A
SCHEMBL6000561 0.77 PTPN1 (0.36) PTPN1RORCRORANR1H2NR1H3
SCHEMBL6000514 0.76 PTPN2 (0.41) PTPN1RORCRORANR1H2NR1H3
SCHEMBL6000945 0.75 TDP1 (0.41) PTPN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL6386073 0.74 PTPN1 (0.40) PTPN1PARP1ALDH1A1
SCHEMBL6000447 0.74 PTPN2 (0.40) PTPN1ALDH1A1KDM4EMAPT
SCHEMBL6001105 0.73 PTPN1 (0.43) PTPN1RORCRORANR1H2NR1H3

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 PTPN1 2/4885KMT2A 3203/4885RORC 318/4885

“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.