SCHEMBL21786487

SCHEMBL21786487

CCCCCCOc1ccc(-c2cc(C(F)(F)F)nn2C)c(O)c1-c1cncc(C#N)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 2/20 0.36
SCN9A Q15858 10/20 0.35
PRKDC P78527 1/20 0.35
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL21786433 0.97 SCN9A (0.37) USP7SCN9APRKDC
SCHEMBL21786488 0.89 SCN9A (0.35) USP7SCN9APRKDC
SCHEMBL21786426 0.88 PPARD (0.33)
SCHEMBL21786486 0.86 USP7 (0.36) USP7SCN9AALDH1A1HPGDKDM4E
SCHEMBL22825554 0.86 SPHK2 (0.35) SCN9A
SCHEMBL22791224 0.85 PPARD (0.34) SCN9A
SCHEMBL21786498 0.84 SCN9A (0.37) USP7SCN9APRKDC
SCHEMBL21786540 0.83 USP7 (0.37) USP7ALDH1A1HPGDKDM4EHTT
SCHEMBL21786434 0.82 USP7 (0.37) USP7SCN9AALDH1A1HPGDKDM4E
SCHEMBL22825391 0.82 SCN9A (0.33) SCN9AALDH1A1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY 2021-12-23 US disclosed
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents NORTHWESTERN UNIVERSITY (US) 2021-10-12 US disclosed
US-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-17 US disclosed
WO-2020046382-A1 SUBSTITUTED HETEROCYCLES AS C-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-03-05 WO 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-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 USP7 2955/4885SCN9A 4686/4885PRKDC 781/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 USP7 2955/4885SCN9A 4686/4885PRKDC 781/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 USP7 2955/4885SCN9A 4686/4885PRKDC 781/4885

“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.