SCHEMBL22845388

SCHEMBL22845388

CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(NCc5ccccc5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
MAPK14 Q16539 1/20 0.34
HDAC10 Q969S8 1/20 0.34
GRM1 Q13255 5/20 0.34
PRLHR P49683 3/20 0.34
BRD4 O60885 1/20 0.33
KAT2B Q92831 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
MTHFD2 P13995 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CNR1 P21554 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
SCHEMBL22845379 0.94 PREP (0.36) PREPHDAC1HDAC8HDAC6HDAC10
SCHEMBL22845527 0.93 PREP (0.37) PREPMAPK14GRM1PRLHRBRD4
SCHEMBL22845317 0.92 PREP (0.36) PREPMAPK14GRM1PRLHRBRD4
SCHEMBL22845318 0.91 PRLHR (0.33) GRM1PRLHR
SCHEMBL24173941 0.91 GRM1 (0.39) HDAC1HDAC8HDAC6HDAC10GRM1
SCHEMBL22845373 0.91 TP53 (0.35) HDAC8MAPK14MTHFD2
SCHEMBL24483838 0.90 HDAC1 (0.35) HDAC1HDAC8HDAC6HDAC10ITGB2
SCHEMBL24173968 0.90 PRLHR (0.36) PRLHR
SCHEMBL22845234 0.90 PRLHR (0.34) HDAC6PRLHRKAT2B
SCHEMBL22845525 0.90 PRLHR (0.34) HDAC6PRLHR

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 PREP 966/4885HDAC1 47/4885HDAC8 97/4885
US-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL PREP 966/4885HDAC1 47/4885HDAC8 97/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL PREP 966/4885HDAC1 47/4885HDAC8 97/4885

“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.