SCHEMBL22845328

SCHEMBL22845328

CC(C)CC(=O)Nc1cnn2c3c(c(=O)n(-c4ccccc4)c12)CCN(C(=O)c1ccc(Cl)c(Cl)c1)C3

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 4/20 0.36
MTHFD2 P13995 1/20 0.36
LMNA P02545 5/20 0.36
GAA P10253 1/20 0.36
P2RX7 Q99572 2/20 0.36
MAPK14 Q16539 1/20 0.35
BRD3 Q15059 1/20 0.35
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.34
NFE2L2 Q16236 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
SCHEMBL22845287 0.89 LMNA (0.37) ALDH1A1SMN1; SMN2HPGDMAPTMTHFD2
SCHEMBL22845369 0.89 NPY2R (0.39) ALDH1A1SMN1; SMN2MAPTMTHFD2LMNA
SCHEMBL22845368 0.85 PREP (0.40) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL22845293 0.84 HPGD (0.40) ALDH1A1SMN1; SMN2HPGDMAPTMTHFD2
SCHEMBL22845215 0.84 KMT2A (0.46) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL22845214 0.83 LMNA (0.37) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL22845213 0.82 MTHFD2 (0.43) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL22845327 0.82 TACR3 (0.40) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL22845433 0.81 MAPT (0.42) ALDH1A1SMN1; SMN2KDM4ENPC1HPGD
SCHEMBL22845286 0.81 LMNA (0.40) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A

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 648/4885SMN1; SMN2 1114/4885KDM4E 4358/4885
US-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL ALDH1A1 648/4885SMN1; SMN2 1114/4885KDM4E 4358/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL ALDH1A1 648/4885SMN1; SMN2 1114/4885KDM4E 4358/4885

“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.