SCHEMBL6000638

SCHEMBL6000638

CN(Cc1ccc(-c2csc(N(C)Cc3ccc(C(=O)O)cc3)n2)cc1)c1ccc(C2CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
CPB1 P15086 1/20 0.42
GCGR P47871 5/20 0.42
GIPR P48546 5/20 0.42
KDM4E B2RXH2 5/20 0.40
RAB9A P51151 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
MRE11 P49959 1/20 0.40
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL5585392 1.00 RXRA (0.42) RXRARXRBRXRGCPB1GCGR
SCHEMBL5585241 0.99 RXRA (0.41) RXRARXRBRXRGCPB1GCGR
Hydrochloric Acid SCHEMBL5585448 0.99 RXRA (0.41) RXRARXRBRXRGCPB1GCGR
SCHEMBL5585528 0.99 RXRA (0.41) RXRARXRBRXRGCPB1GCGR
SCHEMBL5585463 0.99 RXRA (0.43) RXRARXRBRXRGCPB1GCGR
Sulfuric Acid SCHEMBL5585551 0.96 RXRA (0.40) RXRARXRBRXRGCPB1GCGR
SCHEMBL5585722 0.96 GCGR (0.41) RXRARXRBRXRGCPB1GCGR
Tromethamine SCHEMBL5585604 0.95 GCGR (0.40) RXRARXRBRXRGCPB1GCGR
SCHEMBL5585767 0.95 RAB9A (0.43) RXRARXRBRXRGCPB1GCGR
SCHEMBL5585508 0.92 CPB1 (0.45) CPB1GCGRGIPRKDM4ERAB9A

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 6 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
CN-1780823-A Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC (JP) 2006-05-31 CN 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
CN-1780823-A Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC (JP) 2006-05-31 CN 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 RXRA 867/4885RXRB 404/4885RXRG 790/4885

“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.