SCHEMBL6000685

SCHEMBL6000685

CN(Cc1ccc([C@H]2CC[C@H](C)CC2)cc1)c1ccc(-c2csc(CN3CCC(C(=O)O)(c4ccccc4)CC3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.37
HTT P42858 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
CTSL P07711 2/20 0.35
CTSB P07858 2/20 0.35
CTSS P25774 2/20 0.35
ENPP2 Q13822 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 3/20 0.33
ELOVL1 Q9BW60 1/20 0.33
CPB1 P15086 1/20 0.33
POLB P06746 1/20 0.33
NAMPT P43490 1/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 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
SCHEMBL6000690 1.00 LTA4H (0.37) LTA4HHTTITGB3ITGA2BCTSL
SCHEMBL6000915 0.93 CTSL (0.38) LTA4HHTTITGB3ITGA2BCTSL
SCHEMBL6000114 0.85 NPC1 (0.37) LTA4HENPP2RAB9AMAPTNPC1
SCHEMBL6000118 0.85 NPC1 (0.37) LTA4HENPP2RAB9AMAPTNPC1
SCHEMBL6000999 0.80 PTPN2 (0.40) HTTITGB3ITGA2BMEN1KMT2A
SCHEMBL6000991 0.80 PTPN2 (0.40) HTTITGB3ITGA2BMEN1KMT2A
SCHEMBL6000648 0.79 ITGB3 (0.42) HTTITGB3ITGA2BCTSLCTSB
SCHEMBL6000564 0.79 S1PR1 (0.42) LTA4HITGB3ITGA2BCTSLCTSB
SCHEMBL6001092 0.79 CTSL (0.38) HTTCTSLCTSBCTSSENPP2
SCHEMBL5999799 0.79 NAMPT (0.39) HTTMEN1KMT2ACPB1NAMPT

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 LTA4H 1888/4885HTT 4246/4885ITGB3 3679/4885

“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.