SCHEMBL6489478

SCHEMBL6489478

CC(=O)Nc1ccc(-c2ccc(C(=O)NC3CC4CNC3C4)s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
CHRNA7 P36544 5/20 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
ESRRG P62508 5/20 0.43
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PTPN11 Q06124 3/20 0.41
ESR1 P03372 2/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL6495173 0.90 NQO2 (0.51) SMN1; SMN2CHRNA7HTR3EHTR3BHTR3A
SCHEMBL6486663 0.87 ESRRG (0.46) KDM4ESMN1; SMN2CHRNA7HTR3EHTR3B
SCHEMBL6496086 0.87 ESRRG (0.41) KDM4ESMN1; SMN2LMNACHRNA7HTR3E
SCHEMBL6488299 0.86 ESRRG (0.55) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6497200 0.85 KDM4E (0.51) KDM4ESMN1; SMN2CHRNA7HTR3EHTR3B
SCHEMBL6489244 0.85 ESRRG (0.46) KDM4ELMNACHRNA7HTR3EHTR3B
SCHEMBL6498807 0.85 MAPK11 (0.43) KDM4ESMN1; SMN2CHRNA7HTR3EHTR3B
SCHEMBL6497432 0.85 CHRNA7 (0.54) KDM4ESMN1; SMN2CHRNA7HTR3EHTR3B
SCHEMBL6491196 0.84 KDM4E (0.55) KDM4ESMN1; SMN2LMNACHRNA7HTR3E
SCHEMBL6499341 0.84 DGAT1 (0.45) SMN1; SMN2

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 1751/4885LMNA 2990/4885

“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.