SCHEMBL353804

SCHEMBL353804

CNC(=O)Cc1nn[nH]n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.68
KDM4A O75164 1/20 0.68
KDM5A P29375 1/20 0.68
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 1/20 0.49
HTT P42858 1/20 0.45
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.42
NAALAD2 Q9Y3Q0 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PLA2G2C Q5R387 1/20 0.40
GRIN2D O15399 3/20 0.38

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
SCHEMBL12892226 0.81 KDM6B (0.50) KDM6BKDM4AKDM5ACA12CA1
SCHEMBL19268378 0.77 CA12 (0.69) KDM6BKDM4AKDM5ACA12CA1
SCHEMBL2168920 0.77 KDM6B (0.62) KDM6BKDM4AKDM5ACA12CA1
SCHEMBL241024 0.75
SCHEMBL17037043 0.74 KDM6B (0.46) KDM6BKDM4AKDM5ACA12CA1
SCHEMBL5591576 0.74
SCHEMBL12432398 0.73 KDM6B (0.58) KDM6BKDM4AKDM5ACA12CA1
SCHEMBL18116301 0.72 KDM6B (0.51) KDM6BKDM4AKDM5ACA12CA1
SCHEMBL3458243 0.71 ALDH1A1 (0.53) KDM6BKDM4AKDM5AL3MBTL1ALDH1A1
SCHEMBL9223302 0.71 GAA (0.54) KDM6BKDM4AKDM5ACA12CA1

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-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US disclosed
US-7709646-B2 Tetrahydroquinoline derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-04 US disclosed
US-7709646-B2 Tetrahydroquinoline derivatives useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-04 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-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA KDM6B 2144/4885KDM4A 1377/4885KDM5A 1802/4885

“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.