Sugi Predict

Sugi Predict / Compounds / SCHEMBL21786429

SCHEMBL21786429

SCHEMBL21786429

Cc1cc(-c2ccc(OCc3ccc(Cl)cc3)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2O)nn1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PTPN1 P18031 3/20 0.36
▸ PTPN2 P17706 2/20 0.36
▸ PTPN6 P29350 2/20 0.36
▸ PTGER1 P34995 5/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PTGDR2 Q9Y5Y4 3/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.34
▸ AR P10275 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 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
SCHEMBL21786590 0.91 NPSR1 (0.36) MEN1ALDH1A1KMT2ANPSR1PTPN1
SCHEMBL21786529 0.88 PTPN2 (0.39) MEN1ALDH1A1KMT2ANPSR1PTPN1
SCHEMBL22791144 0.87 PTGER1 (0.40) MEN1ALDH1A1KMT2ANPSR1PTGER1
SCHEMBL21786600 0.86 MRGPRX4 (0.38) MEN1ALDH1A1KMT2ANPSR1PTPN1
SCHEMBL21786627 0.84 MAPT (0.41) MEN1ALDH1A1KMT2ANPSR1PTPN1
SCHEMBL21786589 0.84 STIM1 (0.37) MEN1ALDH1A1KMT2ANPSR1PTPN1
SCHEMBL21786420 0.84 PTPN1 (0.40) MEN1ALDH1A1KMT2ANPSR1PTPN1
SCHEMBL21786535 0.83 THRB (0.36) KMT2APTPN1PTPN2PTPN6PTGER1
SCHEMBL21786493 0.82 PTGER1 (0.39) MEN1ALDH1A1KMT2ANPSR1PTPN1
SCHEMBL21786609 0.82 CYP11B1 (0.35) MEN1KMT2ANPSR1PTPN1SLC6A4

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 MEN1 1497/4885ALDH1A1 3133/4885KMT2A 2062/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 MEN1 1497/4885ALDH1A1 3133/4885KMT2A 2062/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 MEN1 1497/4885ALDH1A1 3133/4885KMT2A 2062/4885

“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.