SCHEMBL6001089

SCHEMBL6001089

CC(C)Cc1ccc(CCNc2ccc(-c3csc(CNC(Cc4ccc(Cl)cc4)C(=O)O)n3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
POLB P06746 1/20 0.42
USP2 O75604 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
ADRB3 P13945 4/20 0.38
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
GCGR P47871 2/20 0.38
GIPR P48546 2/20 0.38
LMNA P02545 2/20 0.38
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL6000309 0.86 RAB9A (0.49) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL6001082 0.83 KMT2A (0.39) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL6000782 0.81 NPC1 (0.41) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL6000738 0.79 MEN1 (0.39) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL6000896 0.79 RAB9A (0.43) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL6000962 0.77 RAB9A (0.47) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL6000305 0.77 MEN1 (0.48) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL3335358 0.76 GPR142 (0.52) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL6000585 0.75 RAB9A (0.42) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL6000726 0.74 RAB9A (0.42) MEN1KMT2ANPC1RAB9APOLB

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 MEN1 4550/4885KMT2A 3203/4885NPC1 955/4885

“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.