SCHEMBL23925504

SCHEMBL23925504

O=C(NCCc1c[nH]c2ccc(Cl)cc12)Nc1ccc(Cl)cc1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GOT1 P17174 4/20 0.78
TSHR P16473 1/20 0.72
MTNR1A P48039 1/20 0.70
MTNR1B P49286 1/20 0.70
MMP9 P14780 1/20 0.67
MMP8 P22894 1/20 0.67
MMP14 P50281 1/20 0.67
MAPT P10636 4/20 0.65
POLB P06746 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
SNCA P37840 4/20 0.64
CNR1 P21554 1/20 0.63
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
GFER P55789 1/20 0.60
HSD17B10 Q99714 1/20 0.60
PTGS1 P23219 1/20 0.59
PTGS2 P35354 1/20 0.59
TP53 P04637 1/20 0.58

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
SCHEMBL23925545 0.93 MAPT (0.76) GOT1TSHRMTNR1AMTNR1BMMP9
SCHEMBL23925548 0.90 TSHR (0.68) GOT1TSHRMTNR1AMTNR1BMMP9
SCHEMBL23925617 0.83 MAPT (0.87) GOT1MTNR1AMTNR1BMAPTPOLB
SCHEMBL625920 0.82 MTNR1A (0.76) TSHRMTNR1AMTNR1BMMP9MMP8
SCHEMBL4510886 0.82 MTNR1A (1.00) TSHRMTNR1AMTNR1BMMP9MMP8
SCHEMBL23925499 0.81 MAPT (0.68) GOT1TSHRMTNR1AMTNR1BMAPT
SCHEMBL892597 0.81 MMP9 (0.79) TSHRMTNR1AMTNR1BMMP9MMP8
SCHEMBL892461 0.81 MMP9 (0.79) TSHRMTNR1AMTNR1BMMP9MMP8
SCHEMBL32678267 0.80 MTNR1A (0.73) TSHRMTNR1AMTNR1BMMP9MMP8
SCHEMBL32678270 0.80 MTNR1A (0.73) TSHRMTNR1AMTNR1BMMP9MMP8

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 GOT1 871/4885TSHR 4060/4885MTNR1A 1499/4885

“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.