SCHEMBL21786439

SCHEMBL21786439

Cn1nc(-c2ccc(OCCCN)c(-c3ccc(Cl)c(C(F)(F)F)c3)c2O)cc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.37
NOTUM Q6P988 2/20 0.35
HTR2A P28223 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
AAK1 Q2M2I8 3/20 0.34
KCNH2 Q12809 2/20 0.34
ALDH1A1 P00352 1/20 0.33
FAAH O00519 1/20 0.33
SCN9A Q15858 1/20 0.33
PKM P14618 1/20 0.32
S1PR1 P21453 2/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 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
SCHEMBL22791227 0.96 HTR2A (0.38) COMTNOTUMHTR2AKDM2BKDM4C
SCHEMBL21786502 0.92 COMT (0.37) COMTNOTUMKDM2BKDM4CKCNH2
SCHEMBL22791118 0.90 NOTUM (0.37) COMTNOTUMHTR2AKDM2BKDM4C
SCHEMBL22791360 0.86 MAPT (0.39) COMTNOTUMHTR2AKCNH2ALDH1A1
SCHEMBL31635947 0.85 SLC6A4 (0.37) COMTNOTUMHTR2AKCNH2ALDH1A1
SCHEMBL21786467 0.85 SLC6A4 (0.37) COMTNOTUMHTR2AKCNH2ALDH1A1
SCHEMBL21786435 0.84 COMT (0.37) COMTNOTUMHTR2AKDM2BKDM4C
SCHEMBL22790958 0.84 AAK1 (0.39) COMTNOTUMAAK1
SCHEMBL22790970 0.82 CTSS (0.38) COMTKDM4CALDH1A1FAAHCTSS
SCHEMBL21786468 0.80 SLC6A4 (0.37) HTR2AALDH1A1CTSS

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 4 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
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 COMT 3976/4885NOTUM 4428/4885HTR2A 2931/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 COMT 3976/4885NOTUM 4428/4885HTR2A 2931/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 COMT 3976/4885NOTUM 4428/4885HTR2A 2931/4885

“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.