SCHEMBL6000818

SCHEMBL6000818

CC1(C)CCC(c2ccc(CCNc3ccc(-c4csc(CCNS(=O)(=O)CCCC(=O)O)n4)cc3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
TBXA2R P21731 1/20 0.36
TBXAS1 P24557 1/20 0.36
ADRB3 P13945 6/20 0.35
NAMPT P43490 1/20 0.34
HDAC3 O15379 5/20 0.34
HDAC4 P56524 5/20 0.34
HDAC1 Q13547 5/20 0.34
HDAC7 Q8WUI4 5/20 0.34
HDAC2 Q92769 5/20 0.34
HDAC10 Q969S8 5/20 0.34
HDAC11 Q96DB2 5/20 0.34
HDAC8 Q9BY41 5/20 0.34
HDAC6 Q9UBN7 5/20 0.34
HDAC9 Q9UKV0 5/20 0.34
HDAC5 Q9UQL6 5/20 0.34

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
SCHEMBL6000038 0.91 MEN1 (0.40) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL6000811 0.87 MEN1 (0.36) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL6000629 0.84 ADRB3 (0.40) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL6000059 0.82 NPC1 (0.39) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL6000034 0.81 MEN1 (0.38) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL6000151 0.78 GCGR (0.41) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL5999761 0.78 MEN1 (0.43) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL6000624 0.78 TRPM8 (0.40) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL5999229 0.77 NPC1 (0.41) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL5999085 0.75 ADRB3 (0.41) MEN1KMT2ANPC1POLBRAB9A

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 MEN1 4550/4885KMT2A 3203/4885NPC1 955/4885

“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.