SCHEMBL30997232

SCHEMBL30997232

COC(=O)c1ccc(CSc2nnc(-c3cccc(F)c3)n2-c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.62
HPGD P15428 3/20 0.62
NPSR1 Q6W5P4 2/20 0.62
TSHR P16473 2/20 0.57
POLB P06746 1/20 0.57
PTK2 Q05397 2/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC3 O15379 1/20 0.55
ALDH1A1 P00352 5/20 0.54
LMNA P02545 3/20 0.54
GAA P10253 3/20 0.54
KMT2A Q03164 2/20 0.53
TERT O14746 1/20 0.53
METAP2 P50579 1/20 0.52
MAPK1 P28482 2/20 0.49
MAPT P10636 1/20 0.49
ABL1 P00519 1/20 0.49

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
SCHEMBL27207566 0.89 ALDH1A1 (0.62) SMN1; SMN2POLBPTK2HDAC1HDAC2
SCHEMBL31411197 0.85 SMN1; SMN2 (0.63) SMN1; SMN2HPGDNPSR1TSHRALDH1A1
SCHEMBL31294061 0.78 MEN1 (0.59) SMN1; SMN2HPGDALDH1A1LMNAGAA
SCHEMBL27175659 0.77 ALDH1A1 (0.62) HPGDNPSR1TSHRPOLBALDH1A1
SCHEMBL5819247 0.77 SMN1; SMN2 (0.68) SMN1; SMN2HPGDNPSR1TSHRPOLB
SCHEMBL5819243 0.77 SMN1; SMN2 (0.68) SMN1; SMN2HPGDNPSR1TSHRPOLB
SCHEMBL30828808 0.77 MEN1 (0.63) SMN1; SMN2HPGDPTK2HDAC1HDAC2
SCHEMBL27171349 0.77 MEN1 (0.63) SMN1; SMN2HPGDPTK2HDAC1HDAC2
SCHEMBL30841601 0.76 ALDH1A1 (0.54) SMN1; SMN2HPGDNPSR1TSHRPOLB
SCHEMBL27097362 0.76 ALDH1A1 (0.54) SMN1; SMN2HPGDNPSR1TSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12065411-B1 Methyl 4-((5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-ylthio)methyl)benzoate as an antimicrobial compound King Faisal University (SA) 2024-08-20 US claimed
US-12065411-B1 Methyl 4-((5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-ylthio)methyl)benzoate as an antimicrobial compound King Faisal University (SA) 2024-08-20 US disclosed
US-12065411-B1 Methyl 4-((5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-ylthio)methyl)benzoate as an antimicrobial compound King Faisal University (SA) 2024-08-20 US disclosed
US-12065411-B1 Methyl 4-((5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-ylthio)methyl)benzoate as an antimicrobial compound King Faisal University (SA) 2024-08-20 US disclosed
US-12054464-B1 Methyl 4-((5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-ylthio)methyl)benzoate as an antimicrobial compound King Faisal University (SA) 2024-08-06 US disclosed
US-12054464-B1 Methyl 4-((5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-ylthio)methyl)benzoate as an antimicrobial compound King Faisal University (SA) 2024-08-06 US disclosed
US-12054464-B1 Methyl 4-((5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-ylthio)methyl)benzoate as an antimicrobial compound King Faisal University (SA) 2024-08-06 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-12065411-B1 Methyl 4-((5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-ylthio)methyl)benzoate as an antimicrobial compound TLR4, CASP4, TET3 SMN1; SMN2 4098/4885HPGD 3645/4885NPSR1 4763/4885
US-12054464-B1 Methyl 4-((5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-ylthio)methyl)benzoate as an antimicrobial compound TLR4, CASP4, TET3 SMN1; SMN2 4098/4885HPGD 3645/4885NPSR1 4763/4885

“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.