SCHEMBL20754505

SCHEMBL20754505

Cn1ccnc1C(=O)/C=C/c1ccc(CC(=O)Nc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 2/20 0.51
▸ LDHB P07195 2/20 0.51
▸ FLT1 P17948 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ RORC P51449 4/20 0.45
▸ EPHX2 P34913 1/20 0.44
▸ MAOB P27338 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MAOA P21397 1/20 0.43
▸ NLRP3 Q96P20 1/20 0.43
▸ ANO1 Q5XXA6 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ PSEN1 P49768 1/20 0.42
▸ PSEN2 P49810 1/20 0.42
▸ APH1B Q8WW43 1/20 0.42
▸ NCSTN Q92542 1/20 0.42
▸ APH1A Q96BI3 1/20 0.42

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
SCHEMBL22733793 1.00 LDHA (0.51) LDHALDHBFLT1KDRRORC
SCHEMBL22733789 0.91 HDAC3 (0.45) LDHALDHBFLT1KDRLMNA
SCHEMBL22733788 0.91 HDAC3 (0.45) LDHALDHBFLT1KDRLMNA
SCHEMBL20746236 0.89 GAA (0.52) LDHALDHBRORCMAOBLMNA
SCHEMBL20746235 0.89 GAA (0.52) LDHALDHBRORCMAOBLMNA
SCHEMBL20746570 0.87 NPC1 (0.50) LDHALDHBFLT1KDRLMNA
SCHEMBL20746571 0.87 NPC1 (0.50) LDHALDHBFLT1KDRLMNA
SCHEMBL20746448 0.87 KMT2A (0.53) LDHALDHBKDREPHX2LMNA
SCHEMBL20746446 0.87 KMT2A (0.53) LDHALDHBKDREPHX2LMNA
SCHEMBL20746471 0.84 KMT2A (0.44) LDHALDHBKDRLMNAMAPT

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 3 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

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 LDHA 1728/4885LDHB 2071/4885FLT1 2869/4885

“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.

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