SCHEMBL21786441

SCHEMBL21786441

Nc1ccc(COc2ccc(-c3cc(C(F)(F)F)n[nH]3)c(O)c2-c2cncc(C(F)(F)F)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MAOB P27338 3/20 0.35
MRGPRX4 Q96LA9 3/20 0.35
PTGER1 P34995 3/20 0.34
CYP2C9 P11712 1/20 0.34
TBXA2R P21731 2/20 0.34
PTPN1 P18031 5/20 0.33
PTPN2 P17706 4/20 0.33
PTPN6 P29350 4/20 0.33
RXRA P19793 2/20 0.32
RXRB P28702 2/20 0.32
RXRG P48443 2/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
S1PR1 P21453 1/20 0.31

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
SCHEMBL21786536 0.91 PTGER1 (0.41) MRGPRX4PTGER1CYP2C9TBXA2RPTPN1
SCHEMBL21786477 0.91 PTPN1 (0.39) CYP19A1CYP11B1CYP11B2MAOBMRGPRX4
SCHEMBL22791143 0.85 PRMT5 (0.38) CYP11B1CYP11B2PRMT5WDR77
SCHEMBL22791110 0.82 TBXA2R (0.36) MAOBMRGPRX4PTGER1TBXA2RPRMT5
SCHEMBL21786481 0.82 PTPN1 (0.40) MRGPRX4PTGER1PTPN1PTPN2PTPN6
SCHEMBL21786482 0.82 TBXA2R (0.37) CYP11B1CYP11B2MRGPRX4PTGER1TBXA2R
SCHEMBL21786617 0.81 LTB4R (0.36) CYP11B1CYP11B2S1PR1
SCHEMBL21786475 0.80 TBXA2R (0.35) MRGPRX4PTGER1TBXA2RPTPN1
SCHEMBL21786472 0.80 MAPT (0.41) MRGPRX4PTPN1PTPN2PTPN6
SCHEMBL22791109 0.79 CNR1 (0.37) MRGPRX4PTGER1TBXA2R

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 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.