SCHEMBL6000920

SCHEMBL6000920

O=C(O)C1(c2ccccc2)CCN(Cc2nc(-c3ccc(NCCc4ccc(C5CCCCC5)cc4)cc3)cs2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.38
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
CTSS P25774 2/20 0.38
NAMPT P43490 1/20 0.37
LTA4H P09960 1/20 0.37
CYP3A4 P08684 1/20 0.37
SPHK1 Q9NYA1 3/20 0.36
SPHK2 Q9NRA0 2/20 0.36
HTT P42858 1/20 0.36
MRE11 P49959 1/20 0.35
TRPA1 O75762 1/20 0.35
ELOVL1 Q9BW60 1/20 0.35
ADRB3 P13945 2/20 0.34
ADRB2 P07550 1/20 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
SCHEMBL6000571 0.85 S1PR1 (0.42) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL6000650 0.85 MAPK1 (0.40) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL6000915 0.84 CTSL (0.38) MEN1KMT2APOLBRAB9AMAPK1
SCHEMBL6001096 0.84 CTSL (0.39) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL6000126 0.84 CHRM4 (0.43) NPC1RAB9ANAMPTLTA4HHTT
SCHEMBL5999100 0.82 S1PR1 (0.44) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL6000607 0.78 MEN1 (0.44) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL6001067 0.78 RAB9A (0.42) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL6000685 0.78 LTA4H (0.37) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL6000690 0.78 LTA4H (0.37) 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.