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SCHEMBL21786497

SCHEMBL21786497

Cn1nc(C(F)(F)F)cc1-c1ccc(OCc2ccc(Cl)cc2)c(-c2cncc(C(F)(F)F)c2)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 4/20 0.39
▸ TBXA2R P21731 3/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ STIM1 Q13586 1/20 0.37
▸ ORAI1 Q96D31 1/20 0.37
▸ SLC6A4 P31645 1/20 0.35
▸ CYP2C19 P33261 3/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ SCN9A Q15858 1/20 0.33
▸ CYP2C9 P11712 3/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CNR1 P21554 2/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ PTGS1 P23219 3/20 0.32
▸ PTGS2 P35354 3/20 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
SCHEMBL21786589 0.91 STIM1 (0.37) KMT2ANPSR1MEN1ALDH1A1STIM1
SCHEMBL21786416 0.90 SLC6A4 (0.41) PTGER1NPSR1STIM1ORAI1SLC6A4
SCHEMBL22825614 0.89 STIM1 (0.35) PTGER1TBXA2RKMT2ANPSR1MEN1
SCHEMBL21786530 0.89 MAPT (0.40) KMT2ANPSR1MEN1STIM1ORAI1
SCHEMBL22791002 0.89 CYP19A1 (0.40) PTGER1KMT2ANPSR1MEN1SMN1; SMN2
SCHEMBL21786498 0.89 SCN9A (0.37) STIM1ORAI1SCN9ACNR1
SCHEMBL21786450 0.88 CYP11B1 (0.39) PTGER1KMT2ANPSR1MEN1ALDH1A1
SCHEMBL21786593 0.85 MRGPRX4 (0.40) KMT2ANPSR1MEN1ALDH1A1STIM1
SCHEMBL21786493 0.85 PTGER1 (0.39) PTGER1TBXA2RKMT2ANPSR1MEN1
SCHEMBL22791224 0.84 PPARD (0.34) KMT2ASTIM1ORAI1SCN9A

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 3168/4885KMT2A 2062/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 PTGER1 4862/4885TBXA2R 3168/4885KMT2A 2062/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 PTGER1 4862/4885TBXA2R 3168/4885KMT2A 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.