SCHEMBL22199819

SCHEMBL22199819

c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6ccccc6c6c7ccccc7n(-c7ccccc7)c6c54)nc4ccccc34)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 4/20 0.48
HPGD P15428 3/20 0.48
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 4/20 0.46
LMNA P02545 1/20 0.45
ATM Q13315 3/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADORA2A P29274 2/20 0.39
NUDT1 P36639 2/20 0.39
HTT P42858 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL26841644 0.97 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL17427587 0.97 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL19998005 0.95 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL19997994 0.93 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL17445395 0.93 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL19997991 0.93 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL17451687 0.93 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL23132505 0.92 KMT2A (0.44) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL17427666 0.91 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL17990556 0.91 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDMAPTNPSR1

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-20200216392-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2020-07-09 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-20200216392-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME TERF2, PIEZO1, TERT ALDH1A1 450/4885KDM4E 1076/4885HPGD 4442/4885

“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.