SCHEMBL6311186

SCHEMBL6311186

O=C(NC1CC2CC1CN2)c1ccc(Sc2nccs2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.40
EZH2 Q15910 1/20 0.34
HDAC6 Q9UBN7 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ADORA2A P29274 1/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
SCD O00767 1/20 0.33
SCN3A Q9NY46 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
FDPS P14324 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL6311035 0.83 CHRNA7 (0.38) CHRNA7EZH2HDAC6ALDH1A1SMN1; SMN2
SCHEMBL6306749 0.82 CHRNA7 (0.40) CHRNA7EZH2HDAC6ALDH1A1LMNA
SCHEMBL7115104 0.81 CHRNA7 (0.38) CHRNA7EZH2HDAC6ALDH1A1ADORA2A
SCHEMBL6307351 0.81 CHRNA7 (0.36) CHRNA7EZH2HDAC6ADORA2ANPC1
SCHEMBL6303374 0.81 CHRNA7 (0.56) CHRNA7EZH2ALDH1A1NPC1RAB9A
SCHEMBL6310723 0.80 CHRNA7 (0.46) CHRNA7EZH2
SCHEMBL6305220 0.79 MMP2 (0.37) CHRNA7EZH2ALDH1A1ADORA2ANPC1
SCHEMBL6310401 0.79 CHRNA7 (0.38) CHRNA7EZH2HDAC6ALDH1A1
SCHEMBL6311304 0.79 CHRNA7 (0.38) CHRNA7EZH2
SCHEMBL6311528 0.79 CHRNA7 (0.46) CHRNA7EZH2ALDH1A1NPC1RAB9A

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 4701/4885HDAC6 1388/4885

“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.