SCHEMBL6000896

SCHEMBL6000896

O=C(O)C(Cc1ccccc1)NCc1nc(-c2ccc(NCCc3ccc(C4CCCCC4)cc3)cc2)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
POLB P06746 1/20 0.43
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MRE11 P49959 1/20 0.40
NAMPT P43490 1/20 0.39
ADRB3 P13945 2/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
PTPRB P23467 1/20 0.38
MME P08473 2/20 0.37
GPR142 Q7Z601 1/20 0.37
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 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
SCHEMBL5999851 0.88 MEN1 (0.41) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL6001034 0.87 RAB9A (0.41) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL6000892 0.83 MMP2 (0.40) MEN1KMT2AMMP2MMP9MRE11
SCHEMBL6000064 0.82 NPC1 (0.41) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL5999853 0.81 TRPA1 (0.41) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL6000607 0.81 MEN1 (0.44) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL6001067 0.81 RAB9A (0.42) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL6001089 0.79 MEN1 (0.42) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL5999152 0.79 MEN1 (0.43) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL6000309 0.79 RAB9A (0.49) RAB9AMEN1KMT2ANPC1POLB

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 RAB9A 1393/4885MEN1 4550/4885KMT2A 3203/4885

“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.