SCHEMBL20909217

SCHEMBL20909217

COC(=O)Nc1nc2cc(SC)ccc2[nH]1

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
SMN1; SMN2 Q16637 4/20 0.60
CYP2C19 P33261 1/20 0.60
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
NR1I2 O75469 1/20 0.59
MAPK14 Q16539 1/20 0.59
MAPK1 P28482 4/20 0.58
NPSR1 Q6W5P4 3/20 0.58
HPGD P15428 3/20 0.58
TP53 P04637 2/20 0.58
KCNH2 Q12809 1/20 0.58
NPC1 O15118 2/20 0.57
HSP90AA1 P07900 1/20 0.57
PKM P14618 1/20 0.57
RAB9A P51151 1/20 0.57
KDR P35968 4/20 0.54
TEK Q02763 2/20 0.54

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
SCHEMBL11366152 0.90 LMNA (0.62) LMNACYP1A2HIF1ASMN1; SMN2CYP2C19
SCHEMBL11809362 0.87 LMNA (0.51) LMNACYP1A2HIF1ASMN1; SMN2CYP2C19
SCHEMBL9882802 0.86 LMNA (0.82) LMNACYP1A2HIF1ASMN1; SMN2CYP2C19
SCHEMBL30704747 0.86 LMNA (0.57) LMNACYP1A2HIF1ASMN1; SMN2CYP2C19
SCHEMBL10816027 0.86 LMNA (0.57) LMNACYP1A2HIF1ASMN1; SMN2CYP2C19
SCHEMBL24359625 0.85 LMNA (0.67) LMNACYP1A2HIF1ASMN1; SMN2CYP2C19
Fenbendazole SCHEMBL166352 0.85 LMNA (0.82) LMNACYP1A2HIF1ASMN1; SMN2CYP2C19
Fenbendazole SCHEMBL31547327 0.85 LMNA (0.82) LMNACYP1A2HIF1ASMN1; SMN2CYP2C19
SCHEMBL10742639 0.85 LMNA (0.56) LMNACYP1A2HIF1ASMN1; SMN2CYP2C19
Fenbendazole SCHEMBL31547342 0.85 LMNA (0.82) LMNACYP1A2HIF1ASMN1; SMN2CYP2C19

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-10813914-B2 Composition for controlling microsporidia in fishes and method for controlling microsporidia in fishes using same MARUHA NICHIRO CORPORATION (JP) 2020-10-27 US disclosed
US-20190111027-A1 COMPOSITION FOR CONTROLLING MICROSPORIDIA IN FISHES AND METHOD FOR CONTROLLING MICROSPORIDIA IN FISHES USING SAME MARUHA NICHIRO CORPORATION (JP) 2019-04-18 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 (2 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-10813914-B2 Composition for controlling microsporidia in fishes and method for controlling microsporidia in fishes using same MUSK, MRM1, RRS1 LMNA 3483/4885CYP1A2 164/4885HIF1A 3724/4885
US-20190111027-A1 COMPOSITION FOR CONTROLLING MICROSPORIDIA IN FISHES AND METHOD FOR CONTROLLING MICROSPORIDIA IN FISHES USING SAME MUSK, MRM1, RRS1 LMNA 3483/4885CYP1A2 164/4885HIF1A 3724/4885

“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.