SCHEMBL20746472

SCHEMBL20746472

C#Cc1ccc(NC(=O)Cc2ccc(C=CC(=O)c3nccn3C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RAB9A P51151 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ RET P07949 1/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ LDHA P00338 6/20 0.36
▸ LDHB P07195 6/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ WNT3A P56704 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KDR P35968 1/20 0.36

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
SCHEMBL20746471 1.00 KMT2A (0.44) KMT2ALMNAMAPTNPSR1RAB9A
SCHEMBL20746570 0.87 NPC1 (0.50) KMT2ALMNAMAPTNPSR1RAB9A
SCHEMBL20746236 0.87 GAA (0.52) KMT2ALMNAMAPTNPSR1RAB9A
SCHEMBL20746571 0.87 NPC1 (0.50) KMT2ALMNAMAPTNPSR1RAB9A
SCHEMBL20746235 0.87 GAA (0.52) KMT2ALMNAMAPTNPSR1RAB9A
SCHEMBL20746446 0.87 KMT2A (0.53) KMT2ALMNAMAPTNPSR1RAB9A
SCHEMBL20746448 0.87 KMT2A (0.53) KMT2ALMNAMAPTNPSR1RAB9A
SCHEMBL20754750 0.85 TBXAS1 (0.38) KMT2ALMNAMAPTRAB9AMEN1
SCHEMBL22733793 0.84 LDHA (0.51) KMT2ALMNAMAPTNPSR1RET
SCHEMBL20754505 0.84 LDHA (0.51) KMT2ALMNAMAPTNPSR1RET

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 claimed
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 claimed
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

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 KMT2A 70/4885LMNA 2343/4885MAPT 3302/4885

“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.

Send feedback