SCHEMBL6307351

SCHEMBL6307351

O=C(NC1CC2CNC1C2)c1ccc(Sc2nccs2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.36
EZH2 Q15910 1/20 0.32
FDPS P14324 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
RAB9A P51151 6/20 0.32
NPC1 O15118 5/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
RECQL P46063 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FBP1 P09467 1/20 0.32
ADORA2A P29274 1/20 0.32
HSD17B10 Q99714 1/20 0.31
CYP3A4 P08684 1/20 0.31
SCD O00767 1/20 0.31
SCN3A Q9NY46 1/20 0.31
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30

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
SCHEMBL6310734 0.83 CHRNA7 (0.34) CHRNA7EZH2HDAC6SMN1; SMN2LMNA
SCHEMBL6311186 0.81 CHRNA7 (0.40) CHRNA7EZH2FDPSHDAC6RAB9A
SCHEMBL7115104 0.81 CHRNA7 (0.38) CHRNA7EZH2HDAC6RAB9ANPC1
SCHEMBL6310127 0.81 CHRNA7 (0.37) CHRNA7EZH2HDAC6LMNAL3MBTL1
SCHEMBL6303261 0.80 CHRNA7 (0.41) CHRNA7EZH2CYP3A4
SCHEMBL6303465 0.80 CHRNA7 (0.52) CHRNA7EZH2RAB9ANPC1SMN1; SMN2
SCHEMBL6305201 0.79 RAB9A (0.38) CHRNA7EZH2RAB9ANPC1SMN1; SMN2
SCHEMBL6303618 0.79 CHRNA7 (0.34) CHRNA7EZH2HDAC6CYP3A4
SCHEMBL6303417 0.79 CHRNA7 (0.34) CHRNA7EZH2CYP3A4
SCHEMBL6305281 0.79 DDB1 (0.43) CHRNA7EZH2SMN1; SMN2MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
US-6852716-B2 Substituted-aryl compounds for treatment of disease PFIZER INC (US) 2005-02-08 US disclosed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US 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-20030236279-A1 Substituted-aryl compounds for treatment of disease NAT1, CYP7A1, CYP7B1 CHRNA7 2937/4885EZH2 4701/4885FDPS 243/4885

“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.