SCHEMBL6001111

SCHEMBL6001111

CC(C)(C)CSc1ccc(CCNc2ccc(-c3csc(CN(CC(=O)O)Cc4ccccc4)n3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
POLB P06746 1/20 0.45
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
MMP1 P03956 3/20 0.39
MMP13 P45452 3/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
RORC P51449 1/20 0.39
ADRB3 P13945 4/20 0.38
GAA P10253 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL6001063 0.90 MEN1 (0.48) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL6000786 0.88 MEN1 (0.50) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL6001107 0.86 PTPN2 (0.42) MEN1KMT2ARAB9APTPN2PTPN1
SCHEMBL6000755 0.86 KMT2A (0.48) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL6000984 0.85 MEN1 (0.42) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL6000713 0.85 MEN1 (0.48) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL6000545 0.82 PTPN2 (0.55) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL5999058 0.82 MEN1 (0.46) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL6000607 0.81 MEN1 (0.44) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL6000900 0.81 MEN1 (0.48) MEN1KMT2ARAB9ANPC1POLB

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 3203/4885RAB9A 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.