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SCHEMBL21786465

SCHEMBL21786465

Cn1nc(C(F)(F)F)cc1-c1ccc(OCc2ccc(Cl)cc2)c(-c2ccc(F)c(C(F)(F)F)c2)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.39
▸ STIM1 Q13586 2/20 0.35
▸ ORAI1 Q96D31 2/20 0.35
▸ PTGS1 P23219 3/20 0.35
▸ PTGS2 P35354 3/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ THPO P40225 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SCN9A Q15858 4/20 0.33
▸ USP28 Q96RU2 1/20 0.33
▸ USP25 Q9UHP3 1/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ HTR2C P28335 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
SCHEMBL30807084 0.93 SLC6A4 (0.39) SLC6A4STIM1ORAI1PTGS1PTGS2
SCHEMBL29653521 0.93 SLC6A4 (0.39) SLC6A4STIM1ORAI1PTGS1PTGS2
SCHEMBL21786611 0.93 SLC6A4 (0.39) SLC6A4STIM1ORAI1PTGS1PTGS2
SCHEMBL21786416 0.89 SLC6A4 (0.41) SLC6A4STIM1ORAI1PTGS1PTGS2
SCHEMBL21786589 0.87 STIM1 (0.37) SLC6A4STIM1ORAI1PTGS1PTGS2
SCHEMBL22787009 0.86 PTGER1 (0.36) SLC6A4STIM1ORAI1MRGPRX4
SCHEMBL21786411 0.86 KCNT1 (0.36) STIM1ORAI1PTGS1PTGS2SCN9A
SCHEMBL21786530 0.86 MAPT (0.40) SLC6A4STIM1ORAI1NPSR1MRGPRX4
SCHEMBL31635988 0.86 PTGER1 (0.36) SLC6A4STIM1ORAI1MRGPRX4
SCHEMBL21786621 0.85 ARF6 (0.40) STIM1ORAI1SCN9ACNR1

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 5 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
WO-2020257261-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-24 — — WO 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 SLC6A4 4129/4885STIM1 3524/4885ORAI1 4867/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 SLC6A4 4129/4885STIM1 3524/4885ORAI1 4867/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 SLC6A4 4129/4885STIM1 3524/4885ORAI1 4867/4885

“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.