SCHEMBL21786609

SCHEMBL21786609

Cn1nc(-c2ccc(OCCc3ccc(Cl)cc3)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2O)cc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
CYP19A1 P11511 1/20 0.35
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 3/20 0.33
HTR2C P28335 2/20 0.33
PTPN1 P18031 1/20 0.33
HTR2A P28223 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
MDM2 Q00987 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARA Q07869 2/20 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
SCHEMBL21786590 0.91 NPSR1 (0.36) MAPTNPSR1SMN1; SMN2TP53HTR2C
SCHEMBL22791193 0.91 TP53 (0.36) CYP11B1CYP11B2CYP19A1MAPTTP53
SCHEMBL21786612 0.90 HSP90AA1 (0.36) CYP11B1CYP11B2CYP19A1PTGDR2PPARA
SCHEMBL21786507 0.85 AGER (0.36) CYP19A1SMN1; SMN2PTGDR2PPARAPPARD
SCHEMBL22825429 0.85 GPR55 (0.40) CYP11B1CYP11B2CYP19A1HTR2CMEN1
SCHEMBL21786535 0.85 THRB (0.36) MAPTPTPN1RXRARXRBRXRG
SCHEMBL21786479 0.84 STIM1 (0.36) CYP11B1CYP11B2CYP19A1NPSR1HTR2C
SCHEMBL21786627 0.84 MAPT (0.41) MAPTNPSR1PTPN1RXRARXRB
SCHEMBL21786420 0.84 PTPN1 (0.40) MAPTNPSR1SMN1; SMN2TP53PTPN1
SCHEMBL21786493 0.83 PTGER1 (0.39) MAPTNPSR1SMN1; SMN2TP53HTR2C

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

“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.