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Sugi Predict / Compounds / SCHEMBL21786468

SCHEMBL21786468

SCHEMBL21786468

Cn1nc(-c2ccc(OCc3ccc(Cl)cc3)c(-c3ccc(F)c(C(F)(F)F)c3)c2O)cc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ THRB P10828 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ PTGER1 P34995 1/20 0.34
▸ CTSS P25774 1/20 0.33
▸ USP28 Q96RU2 1/20 0.33
▸ USP25 Q9UHP3 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ KMO O15229 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32

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
SCHEMBL21786467 0.93 SLC6A4 (0.37) SLC6A4MAPTSMN1; SMN2NPSR1THRB
SCHEMBL31635947 0.93 SLC6A4 (0.37) SLC6A4MAPTSMN1; SMN2NPSR1THRB
SCHEMBL21786625 0.91 SMN1; SMN2 (0.36) MAPTSMN1; SMN2NPSR1THRBTP53
SCHEMBL21786446 0.90 PTGER1 (0.40) MAPTSMN1; SMN2NPSR1THRBTP53
SCHEMBL21786420 0.89 PTPN1 (0.40) SLC6A4MAPTSMN1; SMN2NPSR1THRB
SCHEMBL21786627 0.87 MAPT (0.41) SLC6A4MAPTNPSR1PTGER1ALDH1A1
SCHEMBL21786590 0.87 NPSR1 (0.36) SLC6A4MAPTSMN1; SMN2NPSR1THRB
SCHEMBL22791300 0.86 ARF6 (0.39) MAPTSMN1; SMN2NPSR1PTGER1ALDH1A1
SCHEMBL22791252 0.85 SLC6A4 (0.38) SLC6A4PTGER1CTSSHTR2AHTR2C
SCHEMBL21786465 0.84 SLC6A4 (0.39) SLC6A4NPSR1USP28USP25HTR2A

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 4129/4885MAPT 3689/4885SMN1; SMN2 4195/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 SLC6A4 4129/4885MAPT 3689/4885SMN1; SMN2 4195/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 SLC6A4 4129/4885MAPT 3689/4885SMN1; SMN2 4195/4885

“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.