SCHEMBL20657154

SCHEMBL20657154

CC[S+]([O-])c1ccc2nc(NC(=O)OC)[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 9/20 0.60
CYP1A2 P05177 6/20 0.60
HIF1A Q16665 5/20 0.60
TUBB4A P04350 5/20 0.60
TUBB P07437 5/20 0.60
TUBA3C P0DPH7 5/20 0.60
TUBA1B P68363 5/20 0.60
TUBA4A P68366 5/20 0.60
TUBB4B P68371 5/20 0.60
TUBB3 Q13509 5/20 0.60
TUBB2A Q13885 5/20 0.60
TUBB8 Q3ZCM7 5/20 0.60
TUBA3E Q6PEY2 5/20 0.60
TUBA1A Q71U36 5/20 0.60
TUBA1C Q9BQE3 5/20 0.60
TUBB6 Q9BUF5 5/20 0.60
TUBB2B Q9BVA1 5/20 0.60
TUBB1 Q9H4B7 5/20 0.60
MAPK1 P28482 4/20 0.60
TSHR P16473 2/20 0.60

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
Albendazole Oxide SCHEMBL1649240 0.91 LMNA (0.64) LMNACYP1A2HIF1ATUBB4ATUBB
Albendazole Oxide SCHEMBL17968582 0.91 LMNA (0.64) LMNACYP1A2HIF1ATUBB4ATUBB
Albendazole Oxide SCHEMBL30580728 0.91 LMNA (0.64) LMNACYP1A2HIF1ATUBB4ATUBB
SCHEMBL11258288 0.86 LMNA (0.58) LMNACYP1A2HIF1ATUBB4ATUBB
SCHEMBL11266586 0.86 LMNA (0.53) LMNACYP1A2HIF1ATUBB4ATUBB
Oxfendazole SCHEMBL9818561 0.83 LMNA (0.64) LMNACYP1A2HIF1ATUBB4ATUBB
Oxfendazole SCHEMBL29351297 0.83 LMNA (0.64) LMNACYP1A2HIF1ATUBB4ATUBB
SCHEMBL11663912 0.82 LMNA (0.54) LMNACYP1A2HIF1ATUBB4ATUBB
Albendazole Oxide SCHEMBL321413 0.81 LMNA (0.55) LMNACYP1A2HIF1ATUBB4ATUBB
Albendazole Oxide SCHEMBL29564405 0.81 LMNA (0.55) LMNACYP1A2HIF1ATUBB4ATUBB

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-20190016686-A1 SALTS OF COMPOUNDS HAVING A BENZIMIDAZOLIC STRUCTURE, USES AND PROCESS FOR THE PREPARATION THEREOF Università degli Studi "G. D'Annunzio" Chieti-Pescara (IT) 2019-01-17 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-20190016686-A1 SALTS OF COMPOUNDS HAVING A BENZIMIDAZOLIC STRUCTURE, USES AND PROCESS FOR THE PREPARATION THEREOF TUBB, TUBB3, TUBB4B LMNA 3752/4885CYP1A2 688/4885HIF1A 4761/4885

“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.