SCHEMBL21786413

SCHEMBL21786413

CN/N=C(/C)c1ccc(-c2c(OCc3ccc(Cl)cc3)ccc(-c3cc(C(F)(F)F)n(C)n3)c2O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CCR5 P51681 2/20 0.34
SMPD1 P17405 1/20 0.34
KCNA3 P22001 1/20 0.34
HDAC1 Q13547 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
THRB P10828 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
TP53 P04637 1/20 0.32
MRGPRX4 Q96LA9 2/20 0.32
PTGER1 P34995 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 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
SCHEMBL22790980 0.92 PTGER1 (0.35) MAPTCCR5KCNA3MRGPRX4PTGER1
SCHEMBL21786446 0.86 PTGER1 (0.40) MAPTSMN1; SMN2NPSR1CCR5THRB
SCHEMBL21786420 0.86 PTPN1 (0.40) MAPTSMN1; SMN2NPSR1THRBALDH1A1
SCHEMBL22790984 0.86 STIM1 (0.40) MAPTNPSR1CCR5SMPD1KCNA3
SCHEMBL22791300 0.84 ARF6 (0.39) MAPTSMN1; SMN2NPSR1CCR5ALDH1A1
SCHEMBL21786619 0.83 MAPT (0.36) MAPTSMN1; SMN2NPSR1CCR5SMPD1
SCHEMBL21786618 0.83 SMN1; SMN2 (0.38) MAPTSMN1; SMN2NPSR1CCR5KCNA3
SCHEMBL21786590 0.83 NPSR1 (0.36) MAPTSMN1; SMN2NPSR1THRBALDH1A1
SCHEMBL21786467 0.82 SLC6A4 (0.37) MAPTSMN1; SMN2NPSR1THRBALDH1A1
SCHEMBL21786625 0.82 SMN1; SMN2 (0.36) MAPTSMN1; SMN2NPSR1THRBALDH1A1

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 MAPT 3689/4885SMN1; SMN2 4195/4885NPSR1 4023/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 MAPT 3689/4885SMN1; SMN2 4195/4885NPSR1 4023/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 MAPT 3689/4885SMN1; SMN2 4195/4885NPSR1 4023/4885

“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.