SCHEMBL21100836

SCHEMBL21100836

CCCCCCC(CCC)c1cnccc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
TOP1 P11387 3/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
DHFR P00374 1/20 0.33
EGFR P00533 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PPARG P37231 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL20222859 0.97 HTR1A (0.37) HTR1ACA12CA1CA2CA9
SCHEMBL24690502 0.79 TDP1 (0.35) CYSLTR2CYSLTR1TDP1L3MBTL1KDM4E
SCHEMBL13178689 0.78 CA12 (0.42) CA12CA1CA2CA9CYP1A2
SCHEMBL18855230 0.77 TDP1 (0.38) CYP1A2CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL18635979 0.77 TDP1 (0.38) CYP1A2CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL18737292 0.75 TDP1 (0.36) CYSLTR2CYSLTR1TDP1L3MBTL1LMNA
SCHEMBL19176519 0.75 TDP1 (0.36) CYSLTR2CYSLTR1TDP1L3MBTL1LMNA
SCHEMBL26169677 0.75 CYSLTR2 (0.36) CYSLTR2CYSLTR1TDP1L3MBTL1LMNA
SCHEMBL21361206 0.74 PPARA (0.40) CYSLTR2CYSLTR1PPARG
SCHEMBL18922358 0.74 TDP1 (0.38) CYSLTR2CYSLTR1TDP1L3MBTL1KDM4E

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-10745356-B2 Compositions and methods for treating tuberculosis THE BROAD INSTITUTE, INC. (US) 2020-08-18 US disclosed
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS THE BROAD INSTITUTE, INC. 2019-09-19 US disclosed
US-10329257-B2 Compositions and methods for treating tuberculosis THE BROAD INSTITUTE, INC. (US) 2019-06-25 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-10745356-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT HTR1A 4574/4885CA12 1615/4885CA1 4097/4885
US-10329257-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT HTR1A 4574/4885CA12 1615/4885CA1 4097/4885
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT HTR1A 4574/4885CA12 1615/4885CA1 4097/4885

“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.