SCHEMBL6000824

SCHEMBL6000824

CC(C)CN(Cc1nc(-c2ccc(NCCc3ccc(C4CCCCC4)cc3)cc2)cs1)S(=O)(=O)CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
MRE11 P49959 1/20 0.37
ADRB3 P13945 5/20 0.35
STAT3 P40763 1/20 0.35
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
PTGER2 P43116 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALOX5 P09917 1/20 0.33
TRPA1 O75762 1/20 0.33

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
SCHEMBL6000055 0.89 NPC1 (0.39) RORCNPC1RAB9AMEN1POLB
SCHEMBL5999925 0.86 PTPN2 (0.39) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL6000822 0.86 STAT3 (0.40) MRE11STAT3
SCHEMBL5999224 0.84 NPC1 (0.41) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL6000607 0.82 MEN1 (0.44) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL6000059 0.82 NPC1 (0.39) RORCNPC1RAB9AMEN1POLB
SCHEMBL6000148 0.81 NPC1 (0.41) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL6000034 0.81 MEN1 (0.38) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL5999078 0.81 AVPR1B (0.42) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL5999737 0.80 RAB9A (0.40) NPC1RAB9AMEN1POLBKMT2A

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 RORC 318/4885NPC1 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.