SCHEMBL22791002

SCHEMBL22791002

Cn1nc(C(F)(F)F)cc1-c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(-c2cncc(C(F)(F)F)c2)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
MAPT P10636 6/20 0.38
MAPK1 P28482 3/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALKBH5 Q6P6C2 1/20 0.35
XBP1 P17861 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MET P08581 2/20 0.35
PTGS1 P23219 1/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 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
SCHEMBL22791183 0.92 MAPT (0.38) CYP19A1CYP11B1CYP11B2MAPTMAPK1
SCHEMBL21786497 0.89 PTGER1 (0.39) SMN1; SMN2MEN1KMT2ANPSR1PTGS1
SCHEMBL22790968 0.87 CYP19A1 (0.39) CYP19A1CYP11B1CYP11B2MAPTMAPK1
SCHEMBL22791224 0.81 PPARD (0.34) CYP11B1CYP11B2KMT2A
SCHEMBL22790743 0.81 FYN (0.38) MAPTKMT2APTGS1
SCHEMBL21786534 0.81 PTGER1 (0.38) MAPTMAPK1KMT2APTGER1
SCHEMBL21786426 0.80 PPARD (0.33) CYP11B1CYP11B2KMT2A
SCHEMBL21786492 0.80 DYRK3 (0.32) CYP11B1CYP11B2KMT2APTGS1
SCHEMBL21786589 0.80 STIM1 (0.37) MEN1KMT2ANPSR1TDP1PTGS1
SCHEMBL21786614 0.79 PTGS2 (0.39) MAPTNPSR1PTGS1CYP2C9

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 CYP19A1 3457/4885CYP11B1 3260/4885CYP11B2 3531/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 CYP19A1 3457/4885CYP11B1 3260/4885CYP11B2 3531/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 CYP19A1 3457/4885CYP11B1 3260/4885CYP11B2 3531/4885

“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.