SCHEMBL20746541

SCHEMBL20746541

COc1ccc(NC(=O)Cc2ccc(/C=C/C(=O)c3ncc[nH]3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 2/20 0.52
ALDH1A1 P00352 4/20 0.50
MAPT P10636 4/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
RAB9A P51151 1/20 0.50
HDAC1 Q13547 4/20 0.48
BRAF P15056 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
HDAC3 O15379 3/20 0.45
HDAC4 P56524 3/20 0.45
HDAC7 Q8WUI4 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC10 Q969S8 3/20 0.45

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
SCHEMBL20746542 1.00 SMN1; SMN2 (0.52) SMN1; SMN2LMNAALDH1A1MAPTKMT2A
SCHEMBL20754460 0.91 SMN1; SMN2 (0.51) SMN1; SMN2LMNAALDH1A1MAPTKMT2A
SCHEMBL20746339 0.89 SMN1; SMN2 (0.51) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL20746341 0.89 SMN1; SMN2 (0.51) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL20746552 0.87 GAA (0.53) SMN1; SMN2LMNAALDH1A1MAPTKMT2A
SCHEMBL20746574 0.87 NPC1 (0.51) SMN1; SMN2LMNAALDH1A1MAPTKMT2A
SCHEMBL20746553 0.87 GAA (0.53) SMN1; SMN2LMNAALDH1A1MAPTKMT2A
SCHEMBL20746436 0.86 KMT2A (0.51) SMN1; SMN2LMNAALDH1A1MAPTKMT2A
SCHEMBL20746435 0.86 KMT2A (0.51) SMN1; SMN2LMNAALDH1A1MAPTKMT2A
SCHEMBL20754456 0.86 CYP1A2 (0.45) LMNAALDH1A1MAPTKMT2AMEN1

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-20200385374-A1 IMIDAZOLE-BASED ANTICANCER AGENTS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF TOLEDO (US) 2020-12-10 US disclosed
US-20200385374-A1 IMIDAZOLE-BASED ANTICANCER AGENTS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF TOLEDO (US) 2020-12-10 US disclosed
WO-2019036607-A1 IMIDAZOLE-BASED ANTICANCER AGENTS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF TOLEDO (US) 2019-02-21 WO disclosed
WO-2019036607-A1 IMIDAZOLE-BASED ANTICANCER AGENTS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF TOLEDO (US) 2019-02-21 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 (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-20200385374-A1 IMIDAZOLE-BASED ANTICANCER AGENTS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME HDAC1, HDAC8, HDAC2 SMN1; SMN2 3892/4885LMNA 2343/4885ALDH1A1 575/4885

“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.