SCHEMBL20739348

SCHEMBL20739348

COc1cc(OC(N)=O)cc(C)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 2/20 0.42
APOBEC3A P31941 1/20 0.42
HTT P42858 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
MAPT P10636 2/20 0.40
ACHE P22303 1/20 0.39
ALOX5 P09917 2/20 0.39
TUBB4A P04350 3/20 0.39
TUBB P07437 3/20 0.39
TUBA3C P0DPH7 3/20 0.39
TUBA1B P68363 3/20 0.39
TUBA4A P68366 3/20 0.39
TUBB4B P68371 3/20 0.39
TUBB3 Q13509 3/20 0.39
TUBB2A Q13885 3/20 0.39
TUBB8 Q3ZCM7 3/20 0.39
TUBA3E Q6PEY2 3/20 0.39
TUBA1A Q71U36 3/20 0.39

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
SCHEMBL28457354 0.82 MEN1 (0.45) MEN1KMT2ATSHRAPOBEC3AHTT
SCHEMBL14543278 0.77 KMT2A (0.50) MEN1KMT2AMAPTACHETUBB4A
SCHEMBL684136 0.77 ACHE (0.52) MAPTACHETUBB4ATUBBTUBA3C
SCHEMBL20661178 0.76 ALDH1A1 (0.45) MEN1KMT2AALOX5TUBB4ATUBB
SCHEMBL29177225 0.76 KMT2A (0.47) MEN1KMT2ATSHRMAPTKDM4E
SCHEMBL9721680 0.75 KMT2A (0.50) MEN1KMT2ATSHRPOLBCYP3A4
SCHEMBL22442918 0.75 TSHR (0.45) MEN1KMT2ATSHRAPOBEC3AHTT
SCHEMBL21101774 0.74 CA12 (0.59) MEN1KMT2ATSHRHTTMAPT
SCHEMBL28823338 0.74 KMT2A (0.48) MEN1KMT2ATSHRMAPTKDM4E
SCHEMBL736176 0.72 TUBB4A (0.63) MEN1KMT2AHTTMAPTACHE

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-20190048009-A1 Methods for Preparing Bis-Tetrahydroisoquinoline-Containing Compounds CALIFORNIA INSTITUTE OF TECHNOLOGY 2019-02-14 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-20190048009-A1 Methods for Preparing Bis-Tetrahydroisoquinoline-Containing Compounds SYNCRIP, MYC, RPS27 MEN1 804/4885KMT2A 3967/4885TSHR 2371/4885

“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.