SCHEMBL22845293

SCHEMBL22845293

CC(C)CNC(=O)c1cnn2c3c(c(=O)n(-c4ccccc4)c12)CCN(C(=O)c1ccc(Cl)c(Cl)c1)C3

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
ITGB2 P05107 5/20 0.37
ICAM1 P05362 5/20 0.37
ITGAL P20701 5/20 0.37
LMNA P02545 5/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
P2RX7 Q99572 2/20 0.35
TACR3 P29371 1/20 0.35
HTT P42858 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MTHFD2 P13995 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL22845214 0.90 LMNA (0.37) HPGDLMNAMAPTALDH1A1GAA
SCHEMBL22845202 0.90 LMNA (0.40) HPGDLMNAMAPTALDH1A1GAA
SCHEMBL22845287 0.89 LMNA (0.37) HPGDITGB2ICAM1ITGALLMNA
SCHEMBL22845213 0.87 MTHFD2 (0.43) HPGDLMNAMAPTALDH1A1GAA
SCHEMBL24173921 0.85 DHODH (0.42) LMNAMAPTALDH1A1POLB
SCHEMBL22845328 0.84 ALDH1A1 (0.40) HPGDLMNAMAPTALDH1A1GAA
SCHEMBL22845409 0.84 TSHR (0.40) HPGDLMNAMAPTALDH1A1GAA
SCHEMBL22845327 0.82 TACR3 (0.40) HPGDLMNAMAPTALDH1A1GAA
SCHEMBL22845368 0.81 PREP (0.40) LMNAMAPTALDH1A1GAAHTT
SCHEMBL22845286 0.81 LMNA (0.40) HPGDLMNAMAPTALDH1A1GAA

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 HPGD 1777/4885ITGB2 4475/4885ICAM1 4884/4885
US-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL HPGD 1777/4885ITGB2 4475/4885ICAM1 4884/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL HPGD 1777/4885ITGB2 4475/4885ICAM1 4884/4885

“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.