SCHEMBL22791124

SCHEMBL22791124

C#CCC(N)C(=O)NCCCOc1ccc(-c2cc(C(F)(F)F)nn2C)c(O)c1-c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.32
BRAF P15056 1/20 0.31
GCG P01275 1/20 0.31
NOTUM Q6P988 1/20 0.31
COMT P21964 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
STIM1 Q13586 1/20 0.31
ORAI1 Q96D31 1/20 0.31
SCN9A Q15858 4/20 0.31
NR3C1 P04150 1/20 0.31
ALOX5 P09917 1/20 0.30
EPHX2 P34913 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL21786442 0.88 GCG (0.31) GCG
SCHEMBL22790983 0.86 ALOX5 (0.31) GCGSTIM1ORAI1ALOX5EPHX2
SCHEMBL22791225 0.85 ABL1 (0.33) NOTUMCA1CA2CA7CA9
SCHEMBL21786509 0.84 AAK1 (0.36) BRAFNOTUMCOMTCA1CA2
SCHEMBL22790995 0.83 ALDH1A1 (0.34) BRAFGCGNOTUMCOMTCA1
SCHEMBL21786435 0.82 COMT (0.37) NOTUMCOMTSTIM1ORAI1SCN9A
SCHEMBL22791180 0.79 COMT (0.36) NOTUMCOMTSTIM1ORAI1SCN9A
SCHEMBL27364374 0.79 RARA (0.37) NOTUMCOMTSTIM1ORAI1SCN9A
SCHEMBL22791165 0.79 COMT (0.37) NOTUMCOMTSTIM1ORAI1SCN9A
SCHEMBL22787056 0.78 COMT (0.34) NOTUMCOMTSTIM1ORAI1SCN9A

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 3 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
US-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-17 US 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 CARM1 1757/4885BRAF 30/4885GCG 4378/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 CARM1 1757/4885BRAF 30/4885GCG 4378/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 CARM1 1757/4885BRAF 30/4885GCG 4378/4885

“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.