SCHEMBL21786633

SCHEMBL21786633

Cn1nc(C(F)(F)F)cc1-c1ccc(OCc2ccc(C#N)cc2)c(-c2ccc(Cl)c(C(F)(F)F)c2)c1O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.37
NSD2 O96028 1/20 0.37
CTSS P25774 2/20 0.36
ARF6 P62330 1/20 0.36
PLA2G7 Q13093 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTGER1 P34995 1/20 0.34
PRKDC P78527 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL30807084 0.91 SLC6A4 (0.39) SCN9APLA2G7PTGER1
SCHEMBL21786611 0.91 SLC6A4 (0.39) SCN9APLA2G7PTGER1
SCHEMBL29653521 0.91 SLC6A4 (0.39) SCN9APLA2G7PTGER1
SCHEMBL21786621 0.90 ARF6 (0.40) SCN9AARF6KDM4EALDH1A1POLB
SCHEMBL22787009 0.89 PTGER1 (0.36) CTSSPLA2G7PTGER1MRGPRX4
SCHEMBL31635988 0.89 PTGER1 (0.36) CTSSPLA2G7PTGER1MRGPRX4
SCHEMBL22790970 0.86 CTSS (0.38) NSD2CTSSARF6PLA2G7KDM4E
SCHEMBL27349291 0.85 PTGDR2 (0.34) PLA2G7PTGER1
SCHEMBL23913085 0.85 MRGPRX4 (0.40) SCN9AARF6PTGER1PRKDCMRGPRX4
SCHEMBL21786465 0.84 SLC6A4 (0.39) SCN9AMRGPRX4

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-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 (2 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 SCN9A 4686/4885NSD2 464/4885CTSS 3105/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 SCN9A 4686/4885NSD2 464/4885CTSS 3105/4885

“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.