SCHEMBL3198079

SCHEMBL3198079

[c]1c[c]cc(-c2ncco2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.43
LTA4H P09960 2/20 0.42
CHRNA7 P36544 1/20 0.33
CHRNA10 Q9GZZ6 1/20 0.33
CHRNA9 Q9UGM1 1/20 0.33
GLRA3 O75311 1/20 0.33
GLRB P48167 1/20 0.33
HDAC4 P56524 1/20 0.32
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
BRD4 O60885 2/20 0.30
KCNJ1 P48048 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL1152211 0.76 HPGDS (0.50) HPGDSLTA4HCHRNA7CHRNA10CHRNA9
SCHEMBL17701194 0.76 HPGDS (0.42) HPGDSLTA4HCHRNA7CHRNA10CHRNA9
SCHEMBL28328001 0.75 HPGDS (0.38) HPGDSLTA4HCHRNA7CHRNA10CHRNA9
SCHEMBL533033 0.74 LTA4H (0.50) HPGDSLTA4HCHRNA7CHRNA10CHRNA9
SCHEMBL722557 0.74 LTA4H (0.64) HPGDSLTA4HCHRNA7CHRNA10CHRNA9
SCHEMBL100765 0.72 HPGDS (0.46) HPGDSLTA4HCHRNA7CHRNA10CHRNA9
SCHEMBL28362996 0.72 LTA4H (0.62) HPGDSLTA4HCHRNA7CHRNA10CHRNA9
SCHEMBL28320605 0.72 LTA4H (0.62) HPGDSLTA4HCHRNA7CHRNA10CHRNA9
SCHEMBL28257875 0.72 LTA4H (0.62) HPGDSLTA4HCHRNA7CHRNA10CHRNA9
SCHEMBL28328000 0.71 HPGDS (0.35) HPGDSLTA4HCHRNA7CHRNA10CHRNA9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022500-A1 Macrocyclic Lactams and Pharmaceutical Use Thereof NOVARTIS AG 2010-01-28 US disclosed
US-7612055-B2 Macrocyclic lactams and pharmaceutical use thereof NOVARTIS AG (CH) 2009-11-03 US disclosed
US-20070072792-A1 Macrocyclic lactams and pharmaceutical use thereof NOVARTIS AG (CH) 2007-03-29 US disclosed
EP-1682521-A1 MACROCYCLIC LACTAMS AND PHARMACEUTICAL USE THEREOF Novartis AG (CH) 2006-07-26 EP disclosed
WO-2005049585-A1 MACROCYCLIC LACTAMS AND PHARMACEUTICAL USE THEREOF NOVARTIS AG (CH) 2005-06-02 WO 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 (2 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-20070072792-A1 Macrocyclic lactams and pharmaceutical use thereof RPS11, MRPL21, RPS4Y1 HPGDS 3004/4885LTA4H 1858/4885CHRNA7 3266/4885
US-20100022500-A1 Macrocyclic Lactams and Pharmaceutical Use Thereof RPS11, MRPL21, RPS4Y1 HPGDS 3004/4885LTA4H 1858/4885CHRNA7 3266/4885

“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.