SCHEMBL22015765

SCHEMBL22015765

NC(=O)Cc1cc(-c2nc3ccccc3s2)ccc1OCCOCCOCCOCCO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MAPT P10636 10/20 0.47
KDM4E B2RXH2 5/20 0.47
NPC1 O15118 4/20 0.47
KMT2A Q03164 3/20 0.47
GLA P06280 2/20 0.47
SMN1; SMN2 Q16637 7/20 0.47
TP53 P04637 7/20 0.47
RAB9A P51151 4/20 0.47
HPGD P15428 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
BLM P54132 2/20 0.47
HCRTR1 O43613 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL22015456 0.85 KDM4E (0.46) HDAC1HDAC2HDAC8HDAC6MAPT
SCHEMBL22015639 0.85 MAPT (0.51) HDAC1HDAC2HDAC8HDAC6MAPT
SCHEMBL22015461 0.84 HDAC1 (0.49) HDAC1HDAC2HDAC8HDAC6MAPT
SCHEMBL25713690 0.84 KDM4E (0.51) HDAC1HDAC2HDAC8HDAC6MAPT
SCHEMBL22015459 0.84 MAPT (0.51) HDAC1HDAC2HDAC8HDAC6MAPT
SCHEMBL22015466 0.83 APP (0.53) HDAC1HDAC2HDAC8HDAC6MAPT
SCHEMBL22015994 0.83 MAPT (0.53) HDAC1HDAC2HDAC8HDAC6MAPT
SCHEMBL22015453 0.83 MAPT (0.50) HDAC1HDAC2HDAC8HDAC6MAPT
SCHEMBL22015638 0.83 PTGS1 (0.54) HDAC1HDAC2HDAC8HDAC6MAPT
SCHEMBL22015837 0.81 KDM4E (0.48) HDAC1HDAC2HDAC8HDAC6MAPT

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-20220017477-A1 BENZOTHIAZOLE AND RELATED COMPOUNDS SPINOGENIX, INC. 2022-01-20 US disclosed
US-11117878-B2 Benzothiazole and related compounds SPINOGENIX, INC. (US) 2021-09-14 US disclosed
US-20200157068-A1 BENZOTHIAZOLE AND RELATED COMPOUNDS SPINOGENIX, INC. 2020-05-21 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-20220017477-A1 BENZOTHIAZOLE AND RELATED COMPOUNDS BACE1, APP, BACE2 HDAC1 4128/4885HDAC2 4567/4885HDAC8 4214/4885
US-11117878-B2 Benzothiazole and related compounds BACE1, APP, BACE2 HDAC1 4128/4885HDAC2 4567/4885HDAC8 4214/4885
US-20200157068-A1 BENZOTHIAZOLE AND RELATED COMPOUNDS BACE1, APP, BACE2 HDAC1 4128/4885HDAC2 4567/4885HDAC8 4214/4885

“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.