SCHEMBL6000827

SCHEMBL6000827

CCC(CC)c1ccc(N(Cc2ccc(-c3csc(N(C)Cc4ccc(C(=O)O)cc4)n3)cc2)C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCGR P47871 8/20 0.41
GIPR P48546 8/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
PTPN1 P18031 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 6/20 0.39
RAB9A P51151 5/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GSTO1 P78417 1/20 0.35
ENPP2 Q13822 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
SCHEMBL5585661 0.92 GCGR (0.43) GCGRGIPRMEN1KMT2AL3MBTL1
SCHEMBL5585499 0.84 GCGR (0.42) GCGRGIPRMEN1KMT2APTPN1
SCHEMBL6001016 0.84 GCGR (0.42) GCGRGIPRMEN1KMT2APTPN1
SCHEMBL6000825 0.83 PTPN1 (0.39) GCGRGIPRMEN1KMT2APTPN1
SCHEMBL6000167 0.83 PTPN1 (0.49) KMT2APTPN1L3MBTL1KDM4ERAB9A
SCHEMBL6000165 0.83 HDAC3 (0.39) GCGRGIPRMEN1KMT2APTPN1
SCHEMBL6000965 0.79 PTPN1 (0.40) GCGRGIPRMEN1KMT2APTPN1
SCHEMBL6001087 0.79 CHEK1 (0.37) PTPN1KDM4ERAB9AHTTPOLB
SCHEMBL1746621 0.78 KMT2A (0.60) MEN1KMT2AL3MBTL1KDM4ERAB9A
SCHEMBL4726316 0.78 PTPN1 (0.38) GCGRGIPRMEN1KMT2APTPN1

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 3 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

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 GCGR 194/4885GIPR 138/4885MEN1 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.