SCHEMBL23925487

SCHEMBL23925487

COc1cc(NC(=O)NCCc2c[nH]c3ccc(F)cc23)cc(OC)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.79
SMN1; SMN2 Q16637 2/20 0.75
TP53 P04637 1/20 0.72
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
MTNR1A P48039 6/20 0.67
SPR P35270 1/20 0.65
NOTUM Q6P988 3/20 0.65
MTNR1B P49286 3/20 0.65
POLB P06746 2/20 0.60
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP1A1 P04798 1/20 0.59
MPO P05164 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
HTR1A P08908 1/20 0.59
CYP2D6 P10635 1/20 0.59
HPGD P15428 1/20 0.59
NQO2 P16083 1/20 0.59

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
SCHEMBL23925476 0.84 MAPT (0.76) MAPTSMN1; SMN2MEN1KMT2AMTNR1A
SCHEMBL23925614 0.81 MAPT (0.80) MAPTSMN1; SMN2TP53MEN1KMT2A
SCHEMBL23925774 0.80 MEN1 (0.62) MAPTSMN1; SMN2MEN1KMT2AMTNR1A
SCHEMBL23925499 0.80 MAPT (0.68) MAPTSMN1; SMN2MEN1KMT2AMTNR1A
SCHEMBL4512654 0.79 MTNR1A (1.00) MAPTMEN1KMT2AMTNR1ASPR
SCHEMBL6347047 0.79 MAPT (0.61) MAPTSMN1; SMN2TP53MEN1KMT2A
SCHEMBL12720806 0.79 SPR (1.00) MAPTMEN1KMT2AMTNR1ASPR
SCHEMBL8802650 0.78 SPR (0.61) MAPTSMN1; SMN2MEN1KMT2AMTNR1A
SCHEMBL30578783 0.78 MAPT (0.75) MAPTSMN1; SMN2TP53MEN1KMT2A
SCHEMBL23925547 0.78 MAPT (0.78) MAPTSMN1; SMN2TP53MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230131376-A1 ADJUVANT-ANTIBIOTIC COMBINATION AGAINST GRAM-NEGATIVE BACTERIA UNIVERSITY OF NOTRE DAME DU LAC 2023-04-27 US claimed
WO-2021211123-A1 ADJUVANT-ANTIBIOTIC COMBINATION AGAINST GRAM-NEGATIVE BACTERIA UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-10-21 WO claimed
US-20230131376-A1 ADJUVANT-ANTIBIOTIC COMBINATION AGAINST GRAM-NEGATIVE BACTERIA UNIVERSITY OF NOTRE DAME DU LAC 2023-04-27 US disclosed
WO-2021211123-A1 ADJUVANT-ANTIBIOTIC COMBINATION AGAINST GRAM-NEGATIVE BACTERIA UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-10-21 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-20230131376-A1 ADJUVANT-ANTIBIOTIC COMBINATION AGAINST GRAM-NEGATIVE BACTERIA TLR4, TLR5, TLR1 MAPT 1718/4885SMN1; SMN2 4580/4885TP53 3933/4885

“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.