SCHEMBL6488949

SCHEMBL6488949

CC(=O)Nc1cccc(-c2ccc(C(=O)NC3CC4CC3CN4)o2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.51
PTGIR P43119 3/20 0.43
RAC1 P63000 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 3/20 0.40
TSHR P16473 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KCNH2 Q12809 1/20 0.40
CYP17A1 P05093 1/20 0.40
CYP11B1 P15538 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
SCHEMBL6490649 0.89 MEN1 (0.49) SMN1; SMN2KDM4EMAPTHPGDKMT2A
SCHEMBL6496691 0.88 MAPT (0.40) NQO2RAC1SMN1; SMN2KDM4ETSHR
SCHEMBL6496112 0.86 SLC9A1 (0.46) SMN1; SMN2KDM4EMAPTHPGDCYP1A2
SCHEMBL6486913 0.85 SLC9A1 (0.48) SMN1; SMN2KDM4ETSHRMAPTHPGD
SCHEMBL6498034 0.85 RAB9A (0.42) SMN1; SMN2KDM4EMAPTHPGDCYP1A2
SCHEMBL6487908 0.84 NQO2 (0.43) NQO2PTGIRSMN1; SMN2TSHRMAPT
SCHEMBL6499804 0.84 ALDH1A1 (0.44) SMN1; SMN2KDM4EMAPTHPGDCYP1A2
SCHEMBL6488068 0.84 NR4A1 (0.51) SMN1; SMN2KDM4EMAPTHPGDCYP1A2
SCHEMBL6491662 0.84 ALDH1A1 (0.55) SMN1; SMN2KDM4EMAPTHPGDCYP1A2
SCHEMBL6487288 0.83 NQO2 (0.50) NQO2PTGIRRAC1SMN1; SMN2KDM4E

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 NQO2 43/4885PTGIR 3294/4885RAC1 969/4885

“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.