SCHEMBL6000508

SCHEMBL6000508

CCC(CC)c1ccc(N(Cc2ccc(-c3csc(CN4C(=O)COc5ccc(C(=O)O)cc54)n3)cc2)C(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
CPT1A P50416 1/20 0.34
CPT1B Q92523 1/20 0.34
PTPN1 P18031 2/20 0.34
PTPN2 P17706 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
THRB P10828 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
S1PR1 P21453 1/20 0.33
GCGR P47871 2/20 0.32
GIPR P48546 2/20 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
SCHEMBL6000485 0.85 PTPN1 (0.35) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL6001087 0.78 CHEK1 (0.37) MAPTALDH1A1KDM4EPTPN1PTPN2
SCHEMBL6000825 0.77 PTPN1 (0.39) MEN1KMT2AALDH1A1KDM4EPTPN1
SCHEMBL6000165 0.76 HDAC3 (0.39) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL6000167 0.76 PTPN1 (0.49) MAPTKMT2AALDH1A1KDM4EPTPN1
SCHEMBL6000827 0.76 GCGR (0.41) MEN1KMT2AALDH1A1KDM4EPTPN1
SCHEMBL6000472 0.75 PTPN1 (0.41) MAPTALDH1A1KDM4EPTPN1PTPN2
SCHEMBL6000020 0.75 PTPN1 (0.48) MAPTPTPN1PTPN2
SCHEMBL6000459 0.75 ROCK2 (0.48) MAPTMEN1KMT2AALDH1A1PTPN1
SCHEMBL6000509 0.75 S1PR1 (0.46) ALDH1A1KDM4EPTPN1PTPN2S1PR1

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 LMNA 4522/4885MAPT 4785/4885MEN1 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.