SCHEMBL17596068

SCHEMBL17596068

NC(=O)c1ccccc1Nc1ccnnc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 11/20 0.54
MAPK10 P53779 4/20 0.53
MAPK8 P45983 2/20 0.53
SIRT1 Q96EB6 4/20 0.52
MAPK9 P45984 3/20 0.52
PIK3C3 Q8NEB9 1/20 0.52
AURKA O14965 1/20 0.49

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
SCHEMBL460199 0.82 SIRT2 (0.62) SIRT2MAPK10MAPK8SIRT1MAPK9
Anilinobenzamide SCHEMBL1318994 0.78 SIRT2 (0.73) SIRT2MAPK8SIRT1AURKA
SCHEMBL17766595 0.78 SIRT2 (0.56) SIRT2MAPK10MAPK8SIRT1MAPK9
SCHEMBL10424663 0.77 SIRT2 (0.62) SIRT2SIRT1
SCHEMBL2154765 0.77 PDCD1 (0.60) SIRT2SIRT1
SCHEMBL10424288 0.73 SIRT2 (0.74) SIRT2MAPK10SIRT1MAPK9AURKA
SCHEMBL10984674 0.73 SIRT2 (0.69) SIRT2SIRT1
SCHEMBL317825 0.73 AURKA (0.65) SIRT2MAPK10MAPK8SIRT1MAPK9
SCHEMBL5992131 0.72 SIRT2 (0.67) SIRT2SIRT1AURKA
SCHEMBL2764148 0.72 SIRT2 (0.67) SIRT2SIRT1

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
EP-3191473-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES Esanex, Inc. (US) 2017-07-19 EP disclosed
WO-2016086153-A2 USE OF TETRAHYDRO!NDAZOLYLBEIMZAMIDE AND TETRAHYDROINDOLYLBENZAMIDE DERIVATIVES FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) AND ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS) ESANEX, INC. (US) 2016-06-02 WO disclosed
US-20160143884-A1 USE OF TETRAHYDROINDAZOLYLBENZAMIDE AND TETRAHYDROINDOLYLBENZAMIDE DERIVATIVES FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) AND ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS) NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2016-05-26 US disclosed
WO-2016040809-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES ESANEX, INC. (US) 2016-03-17 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 (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-20160143884-A1 USE OF TETRAHYDROINDAZOLYLBENZAMIDE AND TETRAHYDROINDOLYLBENZAMIDE DERIVATIVES FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) AND ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS) HSP90AB1, HSP90B1, HSP90AB2P SIRT2 1769/4885MAPK10 1634/4885MAPK8 1465/4885

“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.