SCHEMBL6000911

SCHEMBL6000911

CCC(CC)c1ccc(N(Cc2ccc(-c3csc(CN(CC(=O)O)C(=O)Nc4ccccc4)n3)cc2)C(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.40
PTPN2 P17706 1/20 0.40
MEN1 O00255 7/20 0.38
KMT2A Q03164 7/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 5/20 0.37
ALDH1A1 P00352 4/20 0.37
HDAC6 Q9UBN7 3/20 0.37
HDAC1 Q13547 2/20 0.37
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
NAMPT P43490 1/20 0.36
ADRB3 P13945 1/20 0.36
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL6000478 0.94 PTPN1 (0.39) PTPN1PTPN2MEN1KMT2ASMN1; SMN2
SCHEMBL6000743 0.94 PTPN1 (0.39) PTPN1PTPN2MEN1KMT2ASMN1; SMN2
SCHEMBL6000221 0.91 PTPN1 (0.39) PTPN1PTPN2MEN1KMT2ASMN1; SMN2
SCHEMBL6001036 0.90 PTPN1 (0.41) PTPN1PTPN2MEN1KMT2ASMN1; SMN2
SCHEMBL6000680 0.90 PTPN1 (0.44) PTPN1PTPN2MEN1KMT2ASMN1; SMN2
SCHEMBL6000932 0.88 PTPN2 (0.46) PTPN1PTPN2MEN1KMT2ASMN1; SMN2
SCHEMBL5999896 0.87 PTPN1 (0.40) PTPN1PTPN2MEN1KMT2ASMN1; SMN2
SCHEMBL6000635 0.86 PTPN1 (0.49) PTPN1PTPN2MEN1KMT2AHTT
SCHEMBL6000925 0.85 PTPN1 (0.43) PTPN1PTPN2MEN1KMT2ASMN1; SMN2
SCHEMBL6000145 0.84 PTPN1 (0.43) PTPN1PTPN2MEN1KMT2ASMN1; 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 PTPN1 2/4885PTPN2 11/4885MEN1 4550/4885

“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.