SCHEMBL22791107

SCHEMBL22791107

Cn1nc(C(F)(F)F)cc1-c1ccc(OCc2ccc(Cl)cc2)c(-c2ccc(C(N)=O)cc2)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 1/20 0.43
ORAI1 Q96D31 1/20 0.43
SMPD1 P17405 1/20 0.40
HDAC1 Q13547 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
MRGPRX4 Q96LA9 3/20 0.37
MAP4K4 O95819 1/20 0.37
PTGER1 P34995 3/20 0.37
MAOB P27338 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
NCOR2 Q9Y618 2/20 0.36
USP2 O75604 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
SCHEMBL21786460 0.91 PTGER1 (0.42) STIM1ORAI1HDAC1HDAC6MRGPRX4
SCHEMBL21786416 0.89 SLC6A4 (0.41) STIM1ORAI1MRGPRX4PTGER1
SCHEMBL22791106 0.87 STIM1 (0.38) STIM1ORAI1PTGER1HTR2AHTR2C
SCHEMBL21786621 0.86 ARF6 (0.40) STIM1ORAI1HPGDXDH
SCHEMBL22790984 0.85 STIM1 (0.40) STIM1ORAI1SMPD1HDAC1HDAC8
SCHEMBL21786589 0.85 STIM1 (0.37) STIM1ORAI1MRGPRX4HTR2AHTR2C
SCHEMBL21786465 0.85 SLC6A4 (0.39) STIM1ORAI1MRGPRX4HTR2AHTR2C
SCHEMBL30807084 0.85 SLC6A4 (0.39) STIM1ORAI1PTGER1MAOB
SCHEMBL21786611 0.85 SLC6A4 (0.39) STIM1ORAI1PTGER1MAOB
SCHEMBL29653521 0.85 SLC6A4 (0.39) STIM1ORAI1PTGER1MAOB

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 STIM1 3524/4885ORAI1 4867/4885SMPD1 4403/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 STIM1 3524/4885ORAI1 4867/4885SMPD1 4403/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 STIM1 3524/4885ORAI1 4867/4885SMPD1 4403/4885

“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.