SCHEMBL22845408

SCHEMBL22845408

CCOC(=O)c1cnn2c3c(c(=O)n(-c4ccccc4)c12)CCNC3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
HPGD P15428 5/20 0.43
MAPT P10636 4/20 0.42
KDM4E B2RXH2 5/20 0.42
RAB9A P51151 4/20 0.42
HIF1A Q16665 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HSD17B10 Q99714 3/20 0.41
NPC1 O15118 2/20 0.40
GAA P10253 1/20 0.39
TSHR P16473 2/20 0.39
PLAT P00750 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
RECQL P46063 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
SCHEMBL22845205 0.84 GNRHR (0.38) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL22845219 0.77 HTR2C (0.39) ALDH1A1HPGDRAB9AHIF1AHSD17B10
SCHEMBL22845486 0.77 GNRHR (0.36) ALDH1A1HPGDTSHRHTT
SCHEMBL22845409 0.75 TSHR (0.40) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL22845403 0.74 TP53 (0.45) ALDH1A1MAPTKMT2A
SCHEMBL22845210 0.73 ALDH1A1 (0.42) ALDH1A1HPGDHIF1ASMN1; SMN2HSD17B10
SCHEMBL24469835 0.73 CRBN (0.39) ALDH1A1SMN1; SMN2TSHRCASP1
SCHEMBL22845404 0.73 ALDH1A1 (0.47) ALDH1A1HPGDMAPTKDM4ERAB9A
SCHEMBL22717381 0.69 GNRHR (0.37) KDM4ETSHRKMT2A
SCHEMBL22845398 0.69 GNRHR (0.40) ALDH1A1MAPTKDM4ERAB9ANPC1

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 648/4885HPGD 1777/4885MAPT 651/4885
US-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL ALDH1A1 648/4885HPGD 1777/4885MAPT 651/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL ALDH1A1 648/4885HPGD 1777/4885MAPT 651/4885

“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.