SCHEMBL22015767

SCHEMBL22015767

OCCOCCOCCOCCOc1ccc(-c2nc3ccccc3s2)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
MAPT P10636 4/20 0.47
NPC1 O15118 4/20 0.47
KMT2A Q03164 3/20 0.47
GLA P06280 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 4/20 0.47
TP53 P04637 3/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 2/20 0.47
HSD17B10 Q99714 2/20 0.47
HCRTR1 O43613 1/20 0.47
MAPK1 P28482 1/20 0.47
BLM P54132 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
S1PR1 P21453 7/20 0.47
CTSS P25774 3/20 0.45
CTSK P43235 3/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45

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
SCHEMBL22015459 0.87 MAPT (0.51) KDM4EMAPTNPC1KMT2AGLA
SCHEMBL22015632 0.87 MAPT (0.49) KDM4EMAPTNPC1KMT2AGLA
SCHEMBL25713690 0.85 KDM4E (0.51) KDM4EMAPTNPC1KMT2AGLA
SCHEMBL22015994 0.84 MAPT (0.53) KDM4EMAPTNPC1KMT2AGLA
SCHEMBL22015466 0.84 APP (0.53) KDM4EMAPTNPC1KMT2AGLA
SCHEMBL22015453 0.84 MAPT (0.50) KDM4EMAPTNPC1KMT2AGLA
SCHEMBL22015638 0.84 PTGS1 (0.54) KDM4EMAPTNPC1KMT2AGLA
SCHEMBL22015996 0.82 SMN1; SMN2 (0.51) KDM4EMAPTNPC1KMT2AGLA
SCHEMBL22015837 0.82 KDM4E (0.48) KDM4EMAPTNPC1KMT2AGLA
SCHEMBL20715410 0.81 SMN1; SMN2 (0.50) KDM4EMAPTNPC1KMT2AGLA

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 KDM4E 3807/4885MAPT 5/4885NPC1 1283/4885
US-11117878-B2 Benzothiazole and related compounds BACE1, APP, BACE2 KDM4E 3807/4885MAPT 5/4885NPC1 1283/4885
US-20200157068-A1 BENZOTHIAZOLE AND RELATED COMPOUNDS BACE1, APP, BACE2 KDM4E 3807/4885MAPT 5/4885NPC1 1283/4885

“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.