SCHEMBL823133

SCHEMBL823133

COc1ccc(/C=C2\SC(N3CCN(C4=NC(=O)/C(=C/c5ccc(OC)c(OC)c5)S4)CC3)=NC2=O)cc1OC

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.91
MEN1 O00255 9/20 0.89
KMT2A Q03164 9/20 0.89
MAPT P10636 5/20 0.73
POLB P06746 2/20 0.73
HPGD P15428 2/20 0.73
GAA P10253 1/20 0.68
GFER P55789 1/20 0.68
GRIN1 Q05586 1/20 0.64
GRIN2B Q13224 1/20 0.64
RAB9A P51151 2/20 0.63
NPC1 O15118 1/20 0.63
ENPP2 Q13822 1/20 0.61
ALDH1A1 P00352 3/20 0.59
HTT P42858 2/20 0.59
LMNA P02545 1/20 0.59
TNNI3 P19429 1/20 0.59
TNNT2 P45379 1/20 0.59
TNNC1 P63316 1/20 0.59
THRB P10828 1/20 0.58

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
SCHEMBL822399 0.94 MCHR1 (0.82) MCHR1MEN1KMT2AMAPTPOLB
SCHEMBL4351654 0.92 MEN1 (0.80) MCHR1MEN1KMT2AMAPTPOLB
SCHEMBL4351655 0.92 MEN1 (0.80) MCHR1MEN1KMT2AMAPTPOLB
SCHEMBL822697 0.89 MEN1 (0.84) MCHR1MEN1KMT2AMAPTPOLB
SCHEMBL2202548 0.85 MCHR1 (0.81) MCHR1MEN1KMT2AMAPTPOLB
SCHEMBL2202552 0.85 MCHR1 (0.81) MCHR1MEN1KMT2AMAPTPOLB
SCHEMBL2199730 0.85 MCHR1 (0.82) MCHR1MEN1KMT2AMAPTPOLB
SCHEMBL2199726 0.85 MCHR1 (0.82) MCHR1MEN1KMT2AMAPTPOLB
SCHEMBL822507 0.84 MEN1 (0.76) MCHR1MEN1KMT2AMAPTPOLB
SCHEMBL4147326 0.83 MCHR1 (0.77) MCHR1MEN1KMT2AMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9198891-B2 Method of treating cancer by inhibition of protein kinase-like endoplasmic reticulum protein kinase NEW YORK UNIVERSITY (US) 2015-12-01 US disclosed
US-20110288083-A1 METHOD OF TREATING CANCER BY INHIBITION OF PROTEIN KINASE-LIKE ENDOPLASMIC RETICULUM PROTEIN KINASE NEW YORK UNIVERSITY (US) 2011-11-24 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-20110288083-A1 METHOD OF TREATING CANCER BY INHIBITION OF PROTEIN KINASE-LIKE ENDOPLASMIC RETICULUM PROTEIN KINASE ERN1, ERN2, EEF2K MCHR1 3924/4885MEN1 3488/4885KMT2A 3197/4885

“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.