SCHEMBL6000607

SCHEMBL6000607

O=C(O)CN(Cc1ccccc1)Cc1nc(-c2ccc(NCCc3ccc(C4CCCCC4)cc3)cc2)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
NAMPT P43490 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
MRE11 P49959 1/20 0.38
CPB1 P15086 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
DHODH Q02127 1/20 0.36
ADRB3 P13945 2/20 0.36
ADRB2 P07550 1/20 0.36

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
SCHEMBL5999152 0.94 MEN1 (0.43) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL6000797 0.94 MEN1 (0.43) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL6000792 0.94 MEN1 (0.43) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL5999761 0.92 MEN1 (0.43) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL6000786 0.89 MEN1 (0.50) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL5999224 0.88 NPC1 (0.41) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL5999925 0.87 PTPN2 (0.39) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL6000755 0.86 KMT2A (0.48) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL6000148 0.84 NPC1 (0.41) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL6000199 0.84 NAMPT (0.38) MEN1KMT2ANPC1RAB9ANAMPT

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.