SCHEMBL6488018

SCHEMBL6488018

CC(=O)Nc1ccccc1-c1ccc(C(=O)NC2CC3CC2CN3)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.48
KDM4E B2RXH2 8/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
RAB9A P51151 8/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 5/20 0.39
HSD17B10 Q99714 3/20 0.39
TSHR P16473 2/20 0.39
ATM Q13315 1/20 0.39
NPC1 O15118 5/20 0.39
KMT2A Q03164 5/20 0.39
HPGD P15428 5/20 0.39
MEN1 O00255 4/20 0.38
PKM P14618 1/20 0.38
HTT P42858 3/20 0.36
ALOX15 P16050 2/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL6486920 0.88 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2RAB9ATDP1
SCHEMBL6488977 0.85 ALDH1A1 (0.53) ALDH1A1KDM4ESMN1; SMN2RAB9AMAPT
SCHEMBL6498429 0.84 RAB9A (0.40) ALDH1A1KDM4ESMN1; SMN2RAB9ATDP1
SCHEMBL6497797 0.83 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2RAB9ATDP1
SCHEMBL6496537 0.83 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2MAPTKMT2A
SCHEMBL6497808 0.83 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2RAB9ATDP1
SCHEMBL6498308 0.83 RAB9A (0.53) ALDH1A1KDM4ESMN1; SMN2RAB9ATDP1
SCHEMBL6486675 0.83 SLC9A1 (0.44) ALDH1A1KDM4ESMN1; SMN2RAB9ATDP1
SCHEMBL6488989 0.83 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2RAB9ATDP1
SCHEMBL6490649 0.82 MEN1 (0.49) ALDH1A1KDM4ESMN1; SMN2RAB9ATDP1

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-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US claimed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US claimed
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US disclosed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 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-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease MALT1, WFS1, NR5A1 ALDH1A1 625/4885KDM4E 2799/4885SMN1; SMN2 1751/4885

“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.