SCHEMBL21116152

SCHEMBL21116152

CC(C)(C)NC(=O)Nc1cc(Cl)cc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
RAB9A P51151 3/20 0.55
MAPT P10636 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
NPC1 O15118 2/20 0.53
CACNA1H O95180 1/20 0.52
CYP2D6 P10635 1/20 0.52
KCNH2 Q12809 1/20 0.52
P2RY1 P47900 1/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
SMN1; SMN2 Q16637 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
SCHEMBL17849580 0.84 MEN1 (0.60) HTTMEN1KMT2ARAB9AMAPT
SCHEMBL11053847 0.83 HTT (0.49) HTTMEN1KMT2ARAB9AMAPT
SCHEMBL21116150 0.82 KMT2A (0.71) HTTMEN1KMT2ARAB9AMAPT
SCHEMBL4350367 0.81 HTT (0.62) HTTMEN1KMT2ARAB9AMAPT
SCHEMBL15786287 0.81 MEN1 (0.76) HTTMEN1KMT2ARAB9AMAPT
SCHEMBL15946354 0.81 NPC1 (0.68) HTTMEN1KMT2ARAB9AMAPT
SCHEMBL12513191 0.78 ALDH1A1 (0.64) HTTMEN1KMT2ARAB9AMAPT
SCHEMBL13756247 0.77 RAB9A (0.81) HTTMEN1KMT2ARAB9AMAPT
SCHEMBL9351720 0.77 IDO1 (0.58) HTTMEN1KMT2AMAPTNPSR1
SCHEMBL14254938 0.76 L3MBTL1 (0.59) HTTMEN1KMT2ARAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10793527-B2 Adenosine monophosphate-activated protein kinase agonist NATIONAL YANG-MING UNIVERSITY (TW) 2020-10-06 US disclosed
US-20190194142-A1 AN ADENOSINE MONOPHOSPHATE-ACTIVATED PROTEIN KINASE AGONIST NATIONAL YANG-MING UNIVERSITY (TW) 2019-06-27 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 (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-20190194142-A1 AN ADENOSINE MONOPHOSPHATE-ACTIVATED PROTEIN KINASE AGONIST PRKAG1, PRKAG2, PRKAB1 HTT 4814/4885MEN1 3893/4885KMT2A 3228/4885
US-10793527-B2 Adenosine monophosphate-activated protein kinase agonist PRKAG1, PRKAG2, PRKAB1 HTT 4831/4885MEN1 3943/4885KMT2A 3162/4885

“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.