SCHEMBL6000965

SCHEMBL6000965

CCC(CC)c1ccc(N(Cc2ccc(-c3csc(COc4ccc(C(=O)O)cn4)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
MAPT P10636 1/20 0.36
OXTR P30559 1/20 0.36
ALOX5 P09917 2/20 0.35
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARD Q03181 3/20 0.33
PPARA Q07869 2/20 0.33
CYP19A1 P11511 1/20 0.33
GABRA5 P31644 3/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GCGR P47871 1/20 0.33

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
SCHEMBL6000167 0.90 PTPN1 (0.49) PTPN1PTPN2MAPTALOX5RAB9A
SCHEMBL5999865 0.89 ALOX5 (0.40) PTPN1PTPN2MAPTOXTRALOX5
SCHEMBL6000933 0.86 PTPN2 (0.42) PTPN1PTPN2MAPTOXTRALOX5
SCHEMBL5999251 0.86 PTPN1 (0.44) PTPN1PTPN2MAPTALOX5RAB9A
SCHEMBL6000472 0.85 PTPN1 (0.41) PTPN1PTPN2MAPTALOX5RAB9A
SCHEMBL6000020 0.85 PTPN1 (0.48) PTPN1PTPN2MAPTALOX5PPARD
SCHEMBL6000958 0.84 PTPN1 (0.44) PTPN1PTPN2MAPTALOX5RAB9A
SCHEMBL6000953 0.83 PTPN1 (0.39) PTPN1PTPN2MAPTALOX5RAB9A
SCHEMBL6000825 0.82 PTPN1 (0.39) PTPN1PTPN2ALOX5RAB9ANPC1
SCHEMBL6000165 0.81 HDAC3 (0.39) PTPN1PTPN2MAPTALOX5RAB9A

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 11/4885MAPT 4785/4885

“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.