Sugi Predict

Sugi Predict / Compounds / SCHEMBL21786493

SCHEMBL21786493

SCHEMBL21786493

Cn1nc(-c2ccc(OCc3ccc(Cl)cc3)c(-c3cncc(C(F)(F)F)c3)c2O)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 5/20 0.39
▸ TBXA2R P21731 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ PTGES O14684 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ MRGPRX4 Q96LA9 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
SCHEMBL21786590 0.91 NPSR1 (0.36) PTGER1NPSR1MEN1ALDH1A1KMT2A
SCHEMBL21786627 0.90 MAPT (0.41) PTGER1NPSR1MEN1ALDH1A1KMT2A
SCHEMBL21786420 0.90 PTPN1 (0.40) PTGER1NPSR1MEN1ALDH1A1KMT2A
SCHEMBL21786542 0.89 USP7 (0.35) PTGER1TBXA2RHTR2AHTR2CCNR1
SCHEMBL22825444 0.89 PTGER1 (0.33) PTGER1TBXA2RNPSR1MEN1ALDH1A1
SCHEMBL21786448 0.88 CYP11B1 (0.39) PTGER1TBXA2RMEN1ALDH1A1KMT2A
SCHEMBL22790968 0.88 CYP19A1 (0.39) NPSR1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL23913065 0.87 SMN1; SMN2 (0.34) PTGER1TBXA2RNPSR1MEN1ALDH1A1
SCHEMBL21786446 0.86 PTGER1 (0.40) PTGER1NPSR1KMT2ASMN1; SMN2MAPT
SCHEMBL21786497 0.85 PTGER1 (0.39) PTGER1TBXA2RNPSR1MEN1ALDH1A1

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 PTGER1 4862/4885TBXA2R 3168/4885NPSR1 4023/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 PTGER1 4862/4885TBXA2R 3168/4885NPSR1 4023/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 PTGER1 4862/4885TBXA2R 3168/4885NPSR1 4023/4885

“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.