SCHEMBL21786593

SCHEMBL21786593

Cn1nc(C(F)(F)F)cc1-c1ccc(OCc2ccc(Cl)cc2)c(-c2ccc(C(F)(F)F)cc2Cl)c1O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 14/20 0.40
STIM1 Q13586 1/20 0.38
ORAI1 Q96D31 1/20 0.38
SLC6A4 P31645 1/20 0.38
AR P10275 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
CNR1 P21554 1/20 0.37

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
SCHEMBL21786416 0.90 SLC6A4 (0.41) MRGPRX4STIM1ORAI1SLC6A4NPSR1
SCHEMBL21786589 0.88 STIM1 (0.37) MRGPRX4STIM1ORAI1SLC6A4MEN1
SCHEMBL21786530 0.88 MAPT (0.40) MRGPRX4STIM1ORAI1SLC6A4MEN1
SCHEMBL29653521 0.86 SLC6A4 (0.39) STIM1ORAI1SLC6A4NPSR1
SCHEMBL30807084 0.86 SLC6A4 (0.39) STIM1ORAI1SLC6A4NPSR1
SCHEMBL21786611 0.86 SLC6A4 (0.39) STIM1ORAI1SLC6A4NPSR1
SCHEMBL21786497 0.85 PTGER1 (0.39) STIM1ORAI1SLC6A4MEN1ALDH1A1
SCHEMBL21786414 0.84 RORC (0.40) STIM1ORAI1SLC6A4ALDH1A1RXRA
SCHEMBL21786465 0.84 SLC6A4 (0.39) MRGPRX4STIM1ORAI1SLC6A4NPSR1
SCHEMBL21786623 0.83 HTR2A (0.40) STIM1ORAI1SLC6A4

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 MRGPRX4 3150/4885STIM1 3524/4885ORAI1 4867/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 MRGPRX4 3150/4885STIM1 3524/4885ORAI1 4867/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 MRGPRX4 3150/4885STIM1 3524/4885ORAI1 4867/4885

“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.