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Sugi Predict / Compounds / SCHEMBL21786449

SCHEMBL21786449

SCHEMBL21786449

Oc1c(-c2cc(C(F)(F)F)[nH]n2)ccc(OCc2ccc(Cl)cc2)c1-c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 5/20 0.40
▸ CYP11B2 P19099 5/20 0.40
▸ CYP19A1 P11511 2/20 0.40
▸ TP53 P04637 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ HTT P42858 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ LRRK2 Q5S007 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ PTGER1 P34995 2/20 0.35
▸ PSD A5PKW4 1/20 0.35

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
SCHEMBL21786629 0.87 MRGPRX4 (0.41) TP53ALOX15MAPK1HSD17B10LRRK2
SCHEMBL21786447 0.85 GYS1 (0.39) TP53ALOX15MAPK1HSD17B10HTT
SCHEMBL21786418 0.85 MRGPRX4 (0.43) TP53ALOX15MAPK1HSD17B10HTT
SCHEMBL21786588 0.85 MRGPRX4 (0.39) TP53ALOX15MAPK1HSD17B10MEN1
SCHEMBL21786408 0.85 HPGD (0.45) TP53ALOX15MAPK1HSD17B10HTT
SCHEMBL21786615 0.84 TP53 (0.37) TP53ALOX15MAPK1HSD17B10MEN1
SCHEMBL21786587 0.84 ALOX15 (0.46) TP53ALOX15MAPK1HSD17B10HTT
SCHEMBL21786469 0.83 SLC6A4 (0.40) TP53ALOX15MAPK1HSD17B10MEN1
SCHEMBL22791321 0.83 GYS1 (0.38) TP53ALOX15MAPK1HSD17B10HTT
SCHEMBL21786457 0.83 TP53 (0.36) TP53ALOX15MAPK1HSD17B10MEN1

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 CYP11B1 3260/4885CYP11B2 3531/4885CYP19A1 3457/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 CYP11B1 3260/4885CYP11B2 3531/4885CYP19A1 3457/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 CYP11B1 3260/4885CYP11B2 3531/4885CYP19A1 3457/4885

“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.