SCHEMBL17766545

SCHEMBL17766545

CN(c1ccccc1C(N)=O)C1CCOC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
PARP1 P09874 5/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 3/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
HSD11B1 P28845 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
KAT2B Q92831 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
HDAC1 Q13547 1/20 0.34
ACACB O00763 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 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
SCHEMBL5858670 0.78 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AMAPTTSHR
SCHEMBL30936653 0.78 POLB (0.38) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL13279891 0.77 EZH2 (0.41) ALDH1A1HSD11B1OPRM1OPRD1KAT2B
SCHEMBL5861683 0.75 KMT2A (0.50) ALDH1A1NPC1RAB9AKMT2ATSHR
SCHEMBL30936662 0.73 LMNA (0.43) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL30221449 0.72 SLC6A2 (0.34) ALDH1A1PARP1KMT2AMAPTTSHR
SCHEMBL30514759 0.71 TSHR (0.47) NPC1RAB9AMEN1KMT2ATSHR
SCHEMBL20355812 0.71 MAPT (0.50) ALDH1A1PARP1NPC1RAB9AMEN1
SCHEMBL147847 0.69 ALDH1A1 (0.69) ALDH1A1NPC1RAB9AKMT2AMAPT
SCHEMBL194970 0.69 ALDH1A1 (0.46) ALDH1A1MAPTTSHRTP53SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ALDH1A1 2436/4885PARP1 2824/4885NPC1 1477/4885

“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.