SCHEMBL6000371

SCHEMBL6000371

CCC(CC)CN(Cc1ccc(-c2csc(Cc3ccccc3NC(=O)CNCC(=O)O)n2)cc1)c1ccc(C(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NAMPT P43490 1/20 0.36
TRPA1 O75762 1/20 0.35
MAPT P10636 2/20 0.35
AKT1 P31749 4/20 0.35
BLM P54132 1/20 0.35
ADRB3 P13945 2/20 0.35
GCGR P47871 3/20 0.33
GIPR P48546 3/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL6001133 0.87 PTPN2 (0.40) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6000675 0.84 PTPN1 (0.37) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6000363 0.84 CNR2 (0.35) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6000379 0.80 PTPN2 (0.40) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5999015 0.78 PTPN2 (0.41) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6000352 0.78 GCGR (0.36) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6000357 0.76 PTPN2 (0.36) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6000427 0.75 PTPN2 (0.39) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6001127 0.71 PTPN2 (0.42) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6001156 0.71 PTPN2 (0.48) MEN1KMT2ANPC1RAB9ASMN1; 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 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.