SCHEMBL6000675

SCHEMBL6000675

CCC(CC)c1ccc(N(Cc2ccc(-c3csc(Cc4ccccc4NC(=O)CNCC(=O)O)n3)cc2)C(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
BLM P54132 1/20 0.36
ADRB3 P13945 7/20 0.35
NAMPT P43490 1/20 0.35
PTPN2 P17706 1/20 0.35
MAPT P10636 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RORC P51449 1/20 0.33
PKM P14618 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
GCGR P47871 1/20 0.32
GIPR P48546 1/20 0.32
ROCK2 O75116 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
SCHEMBL6000562 0.85 PTPN1 (0.41) PTPN1MEN1KMT2AMAPTCA1
SCHEMBL6001133 0.84 PTPN2 (0.40) PTPN1MEN1KMT2ANPC1RAB9A
SCHEMBL6000371 0.84 MEN1 (0.36) MEN1KMT2ANPC1RAB9ABLM
SCHEMBL6000431 0.81 PTPN1 (0.38) PTPN1MEN1KMT2ANPC1RAB9A
SCHEMBL6000680 0.79 PTPN1 (0.44) PTPN1MEN1KMT2ANPC1RAB9A
SCHEMBL6000635 0.78 PTPN1 (0.49) PTPN1MEN1KMT2APTPN2GCGR
SCHEMBL6000911 0.78 PTPN1 (0.40) PTPN1MEN1KMT2ANPC1RAB9A
SCHEMBL6000660 0.78 PTPN1 (0.39) PTPN1MEN1KMT2ANPC1RAB9A
SCHEMBL4726316 0.76 PTPN1 (0.38) PTPN1MEN1KMT2ANPC1RAB9A
SCHEMBL6000424 0.76 PTPN1 (0.41) PTPN1MEN1KMT2ANPC1RAB9A

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 2/4885MEN1 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.