SCHEMBL22015462

SCHEMBL22015462

CC(=O)Nc1cc(-c2nc3ccccc3s2)ccc1OCCOCCOCCOCCO

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 10/20 0.70
SMN1; SMN2 Q16637 9/20 0.70
KDM4E B2RXH2 3/20 0.70
NPC1 O15118 3/20 0.70
RAB9A P51151 3/20 0.70
MEN1 O00255 1/20 0.70
ALDH1A1 P00352 1/20 0.70
LMNA P02545 1/20 0.70
KMT2A Q03164 1/20 0.70
THRB P10828 1/20 0.55
MAPT P10636 10/20 0.54
RXFP1 Q9HBX9 4/20 0.53
GAA P10253 1/20 0.53
POLB P06746 2/20 0.52
BLM P54132 2/20 0.52
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51

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
SCHEMBL22015994 0.83 MAPT (0.53) TP53SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL2243594 0.82 TP53 (1.00) TP53SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL22015461 0.82 HDAC1 (0.49) TP53SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL22015459 0.81 MAPT (0.51) TP53SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL25713690 0.81 KDM4E (0.51) TP53SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL22015765 0.81 HDAC1 (0.51) TP53SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL22015996 0.81 SMN1; SMN2 (0.51) TP53SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL22015638 0.81 PTGS1 (0.54) TP53SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL22015453 0.81 MAPT (0.50) TP53SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL22015466 0.81 APP (0.53) TP53SMN1; SMN2KDM4ENPC1RAB9A

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 TP53 4227/4885SMN1; SMN2 25/4885KDM4E 3807/4885
US-11117878-B2 Benzothiazole and related compounds BACE1, APP, BACE2 TP53 4227/4885SMN1; SMN2 25/4885KDM4E 3807/4885
US-20200157068-A1 BENZOTHIAZOLE AND RELATED COMPOUNDS BACE1, APP, BACE2 TP53 4227/4885SMN1; SMN2 25/4885KDM4E 3807/4885

“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.