SCHEMBL22790980

SCHEMBL22790980

CN/N=C(\C)c1cccc(-c2c(OCc3ccc(Cl)cc3)ccc(-c3cc(C(F)(F)F)n(C)n3)c2O)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 10/20 0.35
MRGPRX4 Q96LA9 4/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
CCR5 P51681 2/20 0.33
KCNA3 P22001 1/20 0.33
CYP2C9 P11712 2/20 0.33
LIPG Q9Y5X9 1/20 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
SCHEMBL21786413 0.92 MAPT (0.36) PTGER1MRGPRX4MAPTCCR5KCNA3
SCHEMBL21786459 0.87 STIM1 (0.35) PTGER1MRGPRX4MAPTNPC1GAA
SCHEMBL21786627 0.86 MAPT (0.41) PTGER1MRGPRX4MAPT
SCHEMBL22791090 0.84 MRGPRX4 (0.36) PTGER1MRGPRX4MAPTCCR5KCNA3
SCHEMBL21786412 0.83 MRGPRX4 (0.40) PTGER1MRGPRX4NPC1CCR5CYP2C9
SCHEMBL21786622 0.82 MAOB (0.34) PTGER1MRGPRX4CCR5KCNA3CYP2C9
SCHEMBL21786448 0.81 CYP11B1 (0.39) PTGER1CYP2C9
SCHEMBL21786590 0.81 NPSR1 (0.36) PTGER1MRGPRX4MAPT
SCHEMBL21786420 0.81 PTPN1 (0.40) PTGER1MRGPRX4MAPT
SCHEMBL21786446 0.81 PTGER1 (0.40) PTGER1MAPTCCR5CYP2C9

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 PTGER1 4862/4885MRGPRX4 3150/4885MAPT 3689/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 PTGER1 4862/4885MRGPRX4 3150/4885MAPT 3689/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 PTGER1 4862/4885MRGPRX4 3150/4885MAPT 3689/4885

“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.