SCHEMBL6000459

SCHEMBL6000459

CCC(CC)c1ccc(N(Cc2ccc(-c3csc(CNc4cccc(C(=O)O)c4)n3)cc2)C(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.48
GRK2 P25098 2/20 0.48
PTPN1 P18031 2/20 0.42
NR1H4 Q96RI1 1/20 0.41
PPARA Q07869 2/20 0.39
CSNK2A1 P68400 2/20 0.37
ENPP2 Q13822 1/20 0.36
PHGDH O43175 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALOX5 P09917 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL6000825 0.85 PTPN1 (0.39) ROCK2GRK2PTPN1CSNK2A1MEN1
SCHEMBL6000020 0.84 PTPN1 (0.48) PTPN1PPARAMAPTALOX5PTPN2
SCHEMBL27630365 0.84 ROCK2 (0.51) ROCK2GRK2NR1H4PPARACSNK2A1
SCHEMBL6000165 0.81 HDAC3 (0.39) PTPN1MEN1KMT2AALDH1A1NPC1
SCHEMBL6000167 0.79 PTPN1 (0.49) PTPN1PPARAKMT2AALDH1A1NPC1
SCHEMBL6000911 0.79 PTPN1 (0.40) ROCK2PTPN1MEN1KMT2AALDH1A1
SCHEMBL6000925 0.79 PTPN1 (0.43) PTPN1MEN1KMT2AALDH1A1NPC1
SCHEMBL6000472 0.79 PTPN1 (0.41) PTPN1PPARAALDH1A1NPC1POLB
SCHEMBL4726316 0.78 PTPN1 (0.38) PTPN1MEN1KMT2AALDH1A1NPC1
SCHEMBL6000680 0.78 PTPN1 (0.44) PTPN1MEN1KMT2AALDH1A1NPC1

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 ROCK2 1672/4885GRK2 547/4885PTPN1 2/4885

“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.