Sugi Predict

Sugi Predict / Compounds / SCHEMBL21786602

SCHEMBL21786602

SCHEMBL21786602

Cn1nc(C(F)(F)F)cc1-c1ccc(OCc2ccc(Cl)cc2)cc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 8/20 0.44
▸ MAOA P21397 5/20 0.44
▸ STIM1 Q13586 1/20 0.42
▸ ORAI1 Q96D31 1/20 0.42
▸ AR P10275 1/20 0.40
▸ CYP3A4 P08684 2/20 0.38
▸ PTGS1 P23219 2/20 0.38
▸ PTGS2 P35354 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ THPO P40225 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ NR4A2 P43354 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL19319825 0.87 MAOB (0.46) MAOBMAOASTIM1ORAI1AR
SCHEMBL19319903 0.85 AR (0.41) MAOBMAOASTIM1ORAI1AR
SCHEMBL19319902 0.85 AR (0.43) MAOBMAOASTIM1ORAI1AR
SCHEMBL21786606 0.84 MAOB (0.46) MAOBMAOASTIM1ORAI1AR
SCHEMBL21786607 0.83 MAOB (0.42) MAOBMAOASTIM1ORAI1AR
SCHEMBL21786608 0.82 AR (0.41) MAOBMAOASTIM1ORAI1AR
SCHEMBL21786427 0.80 SCN9A (0.43) MAOBMAOASTIM1ORAI1AR
SCHEMBL22791107 0.77 STIM1 (0.43) MAOBSTIM1ORAI1
SCHEMBL19319875 0.77 PTGS1 (0.42) MAOBMAOASTIM1ORAI1AR
SCHEMBL21786460 0.75 PTGER1 (0.42) STIM1ORAI1CYP2C9

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 MAOB 3099/4885MAOA 3659/4885STIM1 3524/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 MAOB 3099/4885MAOA 3659/4885STIM1 3524/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 MAOB 3099/4885MAOA 3659/4885STIM1 3524/4885

“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.