SCHEMBL21786498

SCHEMBL21786498

Cn1nc(C(F)(F)F)cc1-c1ccc(OCc2ccc(Cl)cc2)c(-c2cncc(C#N)c2)c1O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.37
USP7 Q93009 2/20 0.35
XDH P47989 1/20 0.35
STIM1 Q13586 1/20 0.35
ORAI1 Q96D31 1/20 0.35
PRKDC P78527 1/20 0.34
CNR1 P21554 1/20 0.34
CCR5 P51681 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
SCHEMBL21786621 0.90 ARF6 (0.40) SCN9AXDHSTIM1ORAI1CNR1
SCHEMBL23913085 0.90 MRGPRX4 (0.40) SCN9APRKDCCNR1CCR5
SCHEMBL21786497 0.89 PTGER1 (0.39) SCN9ASTIM1ORAI1CNR1
SCHEMBL22825614 0.86 STIM1 (0.35) SCN9ASTIM1ORAI1CNR1
SCHEMBL21786542 0.86 USP7 (0.35) USP7XDHCNR1CCR5
SCHEMBL21786433 0.85 SCN9A (0.37) SCN9AUSP7PRKDC
SCHEMBL21786450 0.85 CYP11B1 (0.39) STIM1ORAI1
SCHEMBL21786488 0.84 SCN9A (0.35) SCN9AUSP7XDHPRKDC
SCHEMBL21786487 0.84 USP7 (0.36) SCN9AUSP7PRKDC
SCHEMBL21786589 0.83 STIM1 (0.37) SCN9ASTIM1ORAI1CNR1

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-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 (2 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 SCN9A 4686/4885USP7 2955/4885XDH 3318/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 SCN9A 4686/4885USP7 2955/4885XDH 3318/4885

“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.