SCHEMBL23912966

SCHEMBL23912966

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.36
GYS1 P13807 1/20 0.35
ALOX5AP P20292 1/20 0.35
CCR5 P51681 2/20 0.34
C5AR1 P21730 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
KCNA3 P22001 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
PSD A5PKW4 1/20 0.33
HPGD P15428 1/20 0.33
ROCK2 O75116 1/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 2/20 0.33
MAPK1 P28482 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL21786619 0.91 MAPT (0.36) SMPD1GYS1ALOX5APCCR5HDAC1
SCHEMBL22790944 0.87 SMPD1 (0.39) SMPD1GYS1ALOX5APHDAC1HDAC8
SCHEMBL21786408 0.85 HPGD (0.45) GYS1ALOX5APMRGPRX4HPGDMAPT
SCHEMBL22791090 0.85 MRGPRX4 (0.36) CCR5KCNA3MRGPRX4MAPTTP53
SCHEMBL21786447 0.84 GYS1 (0.39) GYS1ALOX5APCCR5MRGPRX4HPGD
SCHEMBL21786418 0.84 MRGPRX4 (0.43) GYS1ALOX5APMRGPRX4HPGDMAPT
SCHEMBL23913084 0.82 GYS1 (0.37) GYS1ALOX5APCCR5MRGPRX4HPGD
SCHEMBL22791321 0.82 GYS1 (0.38) GYS1ALOX5APKCNA3MRGPRX4HPGD
SCHEMBL23913081 0.81 GYS1 (0.41) GYS1ALOX5APCCR5MRGPRX4PSD
SCHEMBL21786588 0.81 MRGPRX4 (0.39) GYS1ALOX5APMRGPRX4HPGDMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents NORTHWESTERN UNIVERSITY (US) 2021-10-12 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 (1 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-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 SMPD1 4403/4885GYS1 4422/4885ALOX5AP 4567/4885

“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.