SCHEMBL21786600

SCHEMBL21786600

COC(=O)c1cc(-c2ccc(OCc3ccc(Cl)cc3)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2O)nn1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
PTPN2 P17706 2/20 0.36
PTPN1 P18031 2/20 0.36
PTPN6 P29350 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SMPD1 P17405 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL21786529 0.92 PTPN2 (0.39) MRGPRX4PTPN2PTPN1PTPN6NPSR1
SCHEMBL21786590 0.86 NPSR1 (0.36) MRGPRX4PTPN2PTPN1PTPN6HTR2A
SCHEMBL21786429 0.86 MEN1 (0.40) MRGPRX4PTPN2PTPN1PTPN6HTR2A
SCHEMBL21786627 0.80 MAPT (0.41) MRGPRX4PTPN2PTPN1PTPN6NPSR1
SCHEMBL22791128 0.80 PTGER1 (0.41) MRGPRX4PTGDR2RXRARXRBRXRG
SCHEMBL21786420 0.79 PTPN1 (0.40) MRGPRX4PTPN2PTPN1PTPN6NPSR1
SCHEMBL21786589 0.79 STIM1 (0.37) MRGPRX4PTPN2PTPN1PTPN6HTR2A
SCHEMBL21786616 0.79 THRB (0.39) PTPN2PTPN1PTPN6LMNASMN1; SMN2
SCHEMBL21786535 0.78 THRB (0.36) PTPN2PTPN1PTPN6KMT2ARAB9A
SCHEMBL21786609 0.78 CYP11B1 (0.35) PTPN1HTR2AHTR2CNPSR1LMNA

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 MRGPRX4 3150/4885CA12 4843/4885CA1 4879/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 MRGPRX4 3150/4885CA12 4843/4885CA1 4879/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 MRGPRX4 3150/4885CA12 4843/4885CA1 4879/4885

“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.