SCHEMBL6495489

SCHEMBL6495489

O=C(NC1CC2CNC1C2)c1ncc(-c2ccccc2Cl)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
ACKR3 P25106 1/20 0.36
GHSR Q92847 1/20 0.34
CASP3 P42574 2/20 0.34
SENP7 Q9BQF6 2/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL6486722 0.89 FAAH (0.45) HDAC1HDAC6RAB9ANPC1MEN1
SCHEMBL6487825 0.88 FAAH (0.46) HDAC1HDAC6GAAACKR3FAAH
SCHEMBL6500540 0.88 HDAC1 (0.48) HDAC1HDAC6ALDH1A1HPGDACKR3
SCHEMBL6499978 0.88 FAAH (0.46) HDAC1HDAC6ACKR3FAAHCA12
SCHEMBL6486589 0.86 HDAC1 (0.51) HDAC1HDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL6501701 0.85 TUBB4A (0.47) HDAC1HDAC6FAAHCA12CA1
SCHEMBL6495896 0.84 ALDH1A1 (0.40) HDAC1HDAC6SMN1; SMN2MEN1KMT2A
SCHEMBL6500659 0.83 HDAC1 (0.46) HDAC1HDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL6496592 0.83 FAAH (0.35) HDAC1HDAC6HTTMEN1KMT2A
SCHEMBL6500763 0.82 HDAC1 (0.51) HDAC1HDAC6RAB9ANPC1SMN1; 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 HDAC1 467/4885HDAC6 1069/4885RAB9A 1437/4885

“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.