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Sugi Predict / Compounds / SCHEMBL21786450

SCHEMBL21786450

SCHEMBL21786450

Cn1nc(C(F)(F)F)cc1-c1ccc(OCc2ccc(Cl)cc2)c(-c2cccnc2)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 6/20 0.39
▸ CYP11B2 P19099 6/20 0.39
▸ CYP19A1 P11511 4/20 0.39
▸ PLA2G7 Q13093 1/20 0.37
▸ STIM1 Q13586 1/20 0.37
▸ ORAI1 Q96D31 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.36
▸ KCNT1 Q5JUK3 1/20 0.36
▸ HTT P42858 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SMPD1 P17405 1/20 0.35
▸ PTGES2 Q9H7Z7 1/20 0.35
▸ CYP17A1 P05093 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CYP3A4 P08684 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
SCHEMBL21786497 0.88 PTGER1 (0.39) STIM1ORAI1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL21786411 0.87 KCNT1 (0.36) STIM1ORAI1KCNT1ALDH1A1SMN1; SMN2
SCHEMBL21786530 0.87 MAPT (0.40) STIM1ORAI1LRRK2HTTLMNA
SCHEMBL21786589 0.86 STIM1 (0.37) STIM1ORAI1ALDH1A1NPSR1MEN1
SCHEMBL21786416 0.86 SLC6A4 (0.41) STIM1ORAI1NPSR1CYP3A4CYP2C9
SCHEMBL22825614 0.86 STIM1 (0.35) STIM1ORAI1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL21786498 0.85 SCN9A (0.37) STIM1ORAI1
SCHEMBL21786448 0.85 CYP11B1 (0.39) CYP11B1CYP11B2CYP19A1LRRK2HTT
SCHEMBL23913085 0.84 MRGPRX4 (0.40) LRRK2CYP2C9PTGER1RAB9A
SCHEMBL21786465 0.84 SLC6A4 (0.39) STIM1ORAI1NPSR1CYP3A4CYP2C9

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.