SCHEMBL20865388

SCHEMBL20865388

Cc1c(CO)cncc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDXK O00764 1/20 0.35
LMNA P02545 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HSPA5 P11021 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
HIF1A Q16665 2/20 0.32
CA2 P00918 1/20 0.30
POLB P06746 1/20 0.30
TYR P14679 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL24037975 0.80
SCHEMBL21451349 0.78 CA2 (0.35) ALDH1A1KDM4ESMN1; SMN2CYP2C9CYP2C19
SCHEMBL15417760 0.74 PDXK (0.39) PDXKLMNAALDH1A1KDM4EHPGD
SCHEMBL14586463 0.73 CYP11B1 (0.40) LMNAALDH1A1
SCHEMBL29316522 0.72 ALDH1A1 (0.42) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13403322 0.72 PDXK (0.42) PDXKLMNAALDH1A1KDM4EHPGD
SCHEMBL17553885 0.72 PDXK (0.38) PDXKLMNAALDH1A1KDM4EHPGD
SCHEMBL12341056 0.72 ALOX5 (0.36) LMNAALDH1A1HPGDCA2TP53
SCHEMBL11955173 0.72 GABRA1 (0.32) ALDH1A1SMN1; SMN2CYP2C9CYP2C19CA2
SCHEMBL20887505 0.71 PDXK (0.37) PDXKLMNAALDH1A1KDM4EHPGD

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-20200270246-A1 IMIDAZOPYRIDINYL COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE DISORDERS 1ST Biotherapeutics, Inc. 2020-08-27 US disclosed
US-10669246-B2 Benzothiazol compounds and methods using the same for treating neurodegenerative disorders 1ST Biotherapeutics, Inc. (KR) 2020-06-02 US disclosed
US-20190100500-A1 BENZOTHIAZOL COMPOUNDS AND METHODS USING THE SAME FOR TREATING NEURODEGENERATIVE DISORDERS 1ST Biotherapeutics, Inc. 2019-04-04 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-20190100500-A1 BENZOTHIAZOL COMPOUNDS AND METHODS USING THE SAME FOR TREATING NEURODEGENERATIVE DISORDERS ABL2, ABL1, MAPT PDXK 1011/4885LMNA 2738/4885ALDH1A1 2101/4885
US-10669246-B2 Benzothiazol compounds and methods using the same for treating neurodegenerative disorders ABL2, ABL1, MAPT PDXK 1011/4885LMNA 2738/4885ALDH1A1 2101/4885
US-20200270246-A1 IMIDAZOPYRIDINYL COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE DISORDERS SMN1; SMN2, SNCA, HTT PDXK 592/4885LMNA 1809/4885ALDH1A1 2344/4885

“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.