SCHEMBL29969658

SCHEMBL29969658

c1ccc2c(c1)Nc1cc3ccccc3c3nccc-2c13

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.60
MAOA P21397 1/20 0.40
MDM2 Q00987 1/20 0.39
JAK2 O60674 9/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TOP2A P11388 1/20 0.36
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CCR1 P32246 2/20 0.34
CCR8 P51685 2/20 0.34
KIT P10721 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL20990490 0.75 AHR (1.00) AHRMDM2JAK2ALDH1A1HPGD
SCHEMBL5044997 0.73 AHR (0.49) AHRMDM2JAK2TOP2ACDK5
SCHEMBL20990484 0.72 AHR (0.70) AHRMDM2JAK2CDK2
SCHEMBL9386045 0.71 AHR (0.47) AHRMDM2JAK2TOP2AGSK3B
SCHEMBL20990487 0.70 AHR (0.73) AHRMDM2JAK2GSK3BCDK5
SCHEMBL20990482 0.70 AHR (0.73) AHRMDM2JAK2GSK3BCDK5
SCHEMBL25777055 0.70 TOP2A (0.48) AHRMDM2JAK2CASP1HSD17B10
SCHEMBL421641 0.68 AHR (0.54) AHRMDM2JAK2GSK3BCDK5
SCHEMBL31603697 0.68 MAOA (0.42) AHRMAOAL3MBTL1ALDH1A1HPGD
SCHEMBL21886344 0.67 ALDH1A1 (0.64) AHRMAOAL3MBTL1ALDH1A1HPGD

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-11466021-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2022-10-11 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-11466021-B2 Materials for organic electroluminescent devices OR10J3, L1CAM, EPCAM AHR 3241/4885MAOA 343/4885MDM2 3234/4885

“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.