SCHEMBL20746235

SCHEMBL20746235

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ LDHA P00338 1/20 0.47
▸ LDHB P07195 1/20 0.47
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ MAPT P10636 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ ANO1 Q5XXA6 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ ATM Q13315 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ RAB9A P51151 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
SCHEMBL20746236 1.00 GAA (0.52) GAASMN1; SMN2LDHALDHBKMT2A
SCHEMBL20746570 0.90 NPC1 (0.50) SMN1; SMN2LDHALDHBKMT2AMEN1
SCHEMBL20746571 0.90 NPC1 (0.50) SMN1; SMN2LDHALDHBKMT2AMEN1
SCHEMBL20746448 0.89 KMT2A (0.53) SMN1; SMN2LDHALDHBKMT2AMEN1
SCHEMBL20746446 0.89 KMT2A (0.53) SMN1; SMN2LDHALDHBKMT2AMEN1
SCHEMBL20754505 0.89 LDHA (0.51) LDHALDHBKMT2AMAPTLMNA
SCHEMBL22733793 0.89 LDHA (0.51) LDHALDHBKMT2AMAPTLMNA
SCHEMBL20754516 0.88 GAA (0.50) GAASMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL20746573 0.88 EGFR (0.41) GAASMN1; SMN2LDHALDHBKMT2A
SCHEMBL20746572 0.88 EGFR (0.41) GAASMN1; SMN2LDHALDHBKMT2A

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 5 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
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 GAA 846/4885SMN1; SMN2 3892/4885LDHA 1728/4885

“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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