SCHEMBL6000600

SCHEMBL6000600

CCCC(CCC)c1ccc(N(Cc2ccc(-c3csc(CN(CC(=O)O)CC(=O)Nc4ccc(N(C)C)cc4)n3)cc2)C(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
RAB9A P51151 6/20 0.35
NPC1 O15118 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 4/20 0.35
GFER P55789 2/20 0.35
MAPT P10636 7/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
GAA P10253 4/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.35
ADRB3 P13945 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
SGK1 O00141 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL5999977 0.95 PTPN2 (0.51) PTPN2PTPN1RAB9ANPC1SMN1; SMN2
SCHEMBL6000973 0.91 PTPN1 (0.49) PTPN2PTPN1RAB9ANPC1SMN1; SMN2
SCHEMBL6000145 0.89 PTPN1 (0.43) PTPN2PTPN1RAB9ANPC1SMN1; SMN2
SCHEMBL5999379 0.88 PTPN1 (0.43) PTPN2PTPN1RAB9ANPC1SMN1; SMN2
SCHEMBL6000680 0.88 PTPN1 (0.44) PTPN2PTPN1RAB9ANPC1SMN1; SMN2
SCHEMBL6000764 0.88 PTPN2 (0.66) PTPN2PTPN1RAB9ANPC1SMN1; SMN2
SCHEMBL6000618 0.86 PTPN1 (0.51) PTPN2PTPN1RAB9ANPC1MAPT
SCHEMBL6000050 0.85 PTPN2 (0.50) PTPN2PTPN1RAB9ANPC1SMN1; SMN2
SCHEMBL6000932 0.84 PTPN2 (0.46) PTPN2PTPN1RAB9ANPC1SMN1; SMN2
SCHEMBL6001139 0.84 PTPN2 (0.51) PTPN2PTPN1RAB9ANPC1SMN1; SMN2

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 PTPN2 11/4885PTPN1 2/4885RAB9A 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.