SCHEMBL6000561

SCHEMBL6000561

CCC(CC)c1ccc(N(Cc2ccc(-c3ccc(CN(CC(=O)O)Cc4nc5ccccc5n4C)s3)cc2)C(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RORC P51449 4/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.33
NTRK1 P04629 1/20 0.33
NTRK2 Q16620 1/20 0.33
HDAC1 Q13547 1/20 0.32
RECQL P46063 1/20 0.32
PTPN2 P17706 1/20 0.32
RORA P35398 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
RORB Q92753 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL6000095 0.88 PTPN1 (0.38) PTPN1NPC1RAB9AHDAC6ADAMTS5
SCHEMBL6000684 0.83 TDP1 (0.41) PTPN1RORCALDH1A1RORANR1H2
SCHEMBL5999254 0.81 PTPN2 (0.52) PTPN1NPC1RAB9AHDAC6ADAMTS5
SCHEMBL6001105 0.79 PTPN1 (0.43) PTPN1RORCPTPN2RORANR1H2
SCHEMBL6000022 0.78 TDP1 (0.40) PTPN1RORCALDH1A1PTPN2RORA
SCHEMBL6000568 0.77 PTPN1 (0.37) PTPN1RORCALDH1A1RORANR1H2
SCHEMBL6000512 0.76 PTPN2 (0.46) PTPN1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6000673 0.74 PTPN2 (0.45) PTPN1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6000441 0.73 PTPN2 (0.44) PTPN1NPC1RAB9ASMN1; SMN2PTPN2
SCHEMBL5999984 0.73 PTPN1 (0.50) PTPN1RORCPTPN2RORANR1H2

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 2/4885NPC1 955/4885RAB9A 1393/4885

“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.