SCHEMBL22845404

SCHEMBL22845404

CCOC(=O)c1cnn2c3cnccc3c(=O)n(-c3ccccc3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
RAB9A P51151 4/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HIF1A Q16665 1/20 0.47
RECQL P46063 1/20 0.47
MAPT P10636 5/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 3/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL22845203 0.82 KDM5A (0.42) ALDH1A1MAPTMEN1KMT2A
SCHEMBL18044696 0.75 ALDH1A1 (0.50) ALDH1A1RAB9AHPGDKDM4ERECQL
SCHEMBL13131093 0.75 ALDH1A1 (0.50) ALDH1A1RAB9AHPGDKDM4EHIF1A
SCHEMBL22845485 0.75 ALDH1A1 (0.41) ALDH1A1HPGDMAPK1TSHRALOX15
SCHEMBL11605011 0.75 KDM4E (0.65) ALDH1A1RAB9AHPGDKDM4EHIF1A
SCHEMBL22845222 0.74 REN (0.41) ALDH1A1RAB9ANPC1
SCHEMBL30924896 0.73 KDM4E (0.76) ALDH1A1RAB9AHPGDKDM4EHIF1A
SCHEMBL12756114 0.73 KDM4E (0.76) ALDH1A1RAB9AHPGDKDM4EHIF1A
SCHEMBL22845408 0.73 ALDH1A1 (0.43) ALDH1A1RAB9AHPGDKDM4EHIF1A
SCHEMBL12756115 0.71 KDM4E (0.48) ALDH1A1RAB9AHPGDKDM4EHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220000874-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2022-01-06 US disclosed
US-11136321-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2021-10-05 US disclosed
US-20200407361-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2020-12-31 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 (3 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-20220000874-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL ALDH1A1 648/4885RAB9A 488/4885HPGD 1777/4885
US-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL ALDH1A1 648/4885RAB9A 488/4885HPGD 1777/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL ALDH1A1 648/4885RAB9A 488/4885HPGD 1777/4885

“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.