SCHEMBL7258034

SCHEMBL7258034

CCCSc1ccc2nc(NC(=O)OCC)[nH]c2c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.83
CYP1A2 P05177 6/20 0.83
MAPK1 P28482 4/20 0.83
SMN1; SMN2 Q16637 3/20 0.83
MEN1 O00255 2/20 0.83
KMT2A Q03164 2/20 0.83
NPSR1 Q6W5P4 2/20 0.83
TP53 P04637 1/20 0.83
HPGD P15428 1/20 0.83
KCNH2 Q12809 1/20 0.83
TUBB4A P04350 7/20 0.57
TUBB P07437 7/20 0.57
TUBA3C P0DPH7 7/20 0.57
TUBA1B P68363 7/20 0.57
TUBA4A P68366 7/20 0.57
TUBB4B P68371 7/20 0.57
TUBB3 Q13509 7/20 0.57
TUBB2A Q13885 7/20 0.57
TUBB8 Q3ZCM7 7/20 0.57
TUBA3E Q6PEY2 7/20 0.57

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
SCHEMBL7258031 0.91 LMNA (0.69) LMNACYP1A2MAPK1SMN1; SMN2MEN1
Albendazole SCHEMBL31704207 0.91 LMNA (1.00) LMNACYP1A2MAPK1SMN1; SMN2MEN1
Albendazole SCHEMBL247151 0.91 LMNA (1.00) LMNACYP1A2MAPK1SMN1; SMN2MEN1
SCHEMBL18142126 0.88 LMNA (0.78) LMNACYP1A2MAPK1SMN1; SMN2MEN1
Albendazole SCHEMBL29612190 0.88 LMNA (0.85) LMNACYP1A2MAPK1SMN1; SMN2MEN1
SCHEMBL11809370 0.87 LMNA (0.63) LMNACYP1A2MAPK1SMN1; SMN2MEN1
Albendazole SCHEMBL5502364 0.87 LMNA (0.91) LMNACYP1A2MAPK1SMN1; SMN2MEN1
SCHEMBL24209752 0.83 LMNA (0.79) LMNACYP1A2MAPK1SMN1; SMN2MEN1
SCHEMBL23867539 0.82 LMNA (0.65) LMNACYP1A2MAPK1SMN1; SMN2MEN1
Albendazole SCHEMBL28325579 0.82 LMNA (0.72) LMNACYP1A2MAPK1SMN1; SMN2MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017471-A1 FUNCTIONALITY INDEPENDENT LABELING OF ORGANIC COMPOUNDS UNIV SHANGHAI TECHNOLOGY (CN) 2022-01-20 US disclosed
WO-2003011859-A2 OXAZOLIDINONE DERIVATIVES AS ANTIBACTERIAL AGENTS CIPLA LTD. (IN) 2003-02-13 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-20220017471-A1 FUNCTIONALITY INDEPENDENT LABELING OF ORGANIC COMPOUNDS PAICS, PFAS, OTC LMNA 1245/4885CYP1A2 339/4885MAPK1 4754/4885

“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.