SCHEMBL6486653

SCHEMBL6486653

COc1ccc(-c2ccc(C(=O)NC3CC4CC3CN4)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 2/20 0.55
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 1/20 0.55
GLA P06280 1/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55
LMNA P02545 1/20 0.53
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
ACKR3 P25106 2/20 0.45
CHRNA7 P36544 6/20 0.44
HTR3E A5X5Y0 4/20 0.44
HTR3B O95264 4/20 0.44
HTR3A P46098 4/20 0.44
HTR3D Q70Z44 4/20 0.44
HTR3C Q8WXA8 4/20 0.44
HSD17B2 P37059 5/20 0.44
HSD17B1 P14061 2/20 0.43

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
SCHEMBL6500579 0.91 HDAC6 (0.51) KDM4ESMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL6501624 0.88 RXFP1 (0.47) KDM4ESMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL6498888 0.87 ESRRG (0.55) MAPK11MAPK14CHRNA7HTR3EHTR3B
SCHEMBL6486616 0.87 CHRNA7 (0.58) KDM4ESMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL6487416 0.86 CHRNA7 (0.47) KDM4ENPC1ALDH1A1HPGDMAPK11
SCHEMBL6485603 0.86 KDM4E (0.51) KDM4ESMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL6499988 0.86 CHRNA7 (0.47) MAPK11MAPK14CHRNA7HTR3EHTR3B
SCHEMBL6499145 0.84 CHRNA7 (0.48) KDM4ESMN1; SMN2MAPTNPC1LMNA
SCHEMBL6496553 0.83 HDAC1 (0.48) KDM4ESMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL6490374 0.83 RXFP1 (0.48) KDM4ESMN1; SMN2MAPTNPC1ALDH1A1

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 KDM4E 2799/4885SMN1; SMN2 1751/4885MAPT 4385/4885

“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.