SCHEMBL4092924

SCHEMBL4092924

CC(C(N)=O)c1cn(C)c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.58
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 2/20 0.46
NR4A2 P43354 1/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MITF O75030 1/20 0.45
APAF1 O14727 1/20 0.44

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
SCHEMBL27749752 0.87 KDM4E (0.57) IDO1KDM4EALDH1A1KMT2AMEN1
SCHEMBL2687045 0.85 KDM4E (0.64) IDO1KDM4EALDH1A1KMT2AMEN1
SCHEMBL8685889 0.84 IDO1 (0.55) IDO1KDM4EALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL3150864 0.83 IDO1 (0.54) IDO1KDM4EALDH1A1KMT2AMEN1
SCHEMBL13203774 0.81 NR4A2 (0.55) IDO1KDM4EALDH1A1KMT2AMEN1
SCHEMBL2184960 0.81 NR4A2 (0.55) IDO1KDM4EALDH1A1KMT2AMEN1
SCHEMBL28370254 0.80 NR4A2 (0.37) IDO1KDM4EALDH1A1KMT2AMEN1
SCHEMBL29003631 0.80 KDM4E (0.62) IDO1KDM4EALDH1A1KMT2AMEN1
SCHEMBL4543449 0.80 MTNR1B (0.41) IDO1KDM4ELMNAGAA
SCHEMBL2395366 0.79 ALOX5 (0.53) IDO1KDM4EALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117969859-B Metabolic biomarker for polycystic ovary syndrome and application thereof 山东大学 2024-09-06 CN claimed
CN-117969859-A Metabolic biomarker for polycystic ovary syndrome and application thereof 山东大学 2024-05-03 CN claimed
CN-117969859-B Metabolic biomarker for polycystic ovary syndrome and application thereof 山东大学 2024-09-06 CN disclosed
CN-117969859-A Metabolic biomarker for polycystic ovary syndrome and application thereof 山东大学 2024-05-03 CN disclosed
US-9206156-B2 Substituted indole derivatives Grünenthal GmbH (DE) 2015-12-08 US disclosed
US-20130116283-A1 Substituted indole derivatives Grünenthal GmbH (DE) 2013-05-09 US disclosed
US-20090215828-A1 Substituted indole derivatives GRUNENTHAL GMBH (DE) 2009-08-27 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-20090215828-A1 Substituted indole derivatives IDO1, IDO2, TPH1 IDO1 1/4885KDM4E 2535/4885ALDH1A1 886/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 IDO1 1/4885KDM4E 2535/4885ALDH1A1 886/4885

“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.