SCHEMBL21786428

SCHEMBL21786428

Oc1c(-c2cc(C(F)(F)F)[nH]n2)ccc(Oc2ccc(Cl)cc2)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.40
MAPK1 P28482 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 1/20 0.38
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SCN9A Q15858 3/20 0.35
GYS1 P13807 1/20 0.35
ALOX5AP P20292 1/20 0.35
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
SCN10A Q9Y5Y9 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
SCHEMBL21786588 0.85 MRGPRX4 (0.39) TP53MAPK1ALOX15HSD17B10HPGD
SCHEMBL21786496 0.83 HPGD (0.45) TP53MAPK1ALOX15HSD17B10HPGD
SCHEMBL21786521 0.79 ALOX15 (0.53) TP53MAPK1ALOX15HSD17B10HPGD
SCHEMBL21786418 0.78 MRGPRX4 (0.43) TP53MAPK1ALOX15HSD17B10HPGD
SCHEMBL21786629 0.78 MRGPRX4 (0.41) TP53MAPK1ALOX15HSD17B10MAPT
SCHEMBL21786595 0.77 ALOX15 (0.57) TP53MAPK1ALOX15HSD17B10HPGD
SCHEMBL21786408 0.75 HPGD (0.45) TP53MAPK1ALOX15HSD17B10HPGD
SCHEMBL21786447 0.74 GYS1 (0.39) TP53MAPK1ALOX15HSD17B10HPGD
SCHEMBL22791321 0.74 GYS1 (0.38) TP53MAPK1ALOX15HSD17B10HPGD
SCHEMBL21786596 0.73 MRGPRX4 (0.44) TP53MAPK1ALOX15HSD17B10SLC6A4

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 TP53 5/4885MAPK1 1239/4885ALOX15 4648/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 TP53 5/4885MAPK1 1239/4885ALOX15 4648/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 TP53 5/4885MAPK1 1239/4885ALOX15 4648/4885

“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.