SCHEMBL23925548

SCHEMBL23925548

O=C(NCCc1c[nH]c2ccc(Cl)cc12)Nc1cccc(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.68
GOT1 P17174 4/20 0.67
MAPT P10636 4/20 0.66
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
MTNR1A P48039 1/20 0.65
MTNR1B P49286 1/20 0.65
TRPV1 Q8NER1 1/20 0.64
POLB P06746 1/20 0.64
SNCA P37840 4/20 0.63
MMP9 P14780 1/20 0.63
MMP8 P22894 1/20 0.63
MMP14 P50281 1/20 0.63
PTGS1 P23219 1/20 0.61
PTGS2 P35354 1/20 0.61
LMNA P02545 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61

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 0.92 MAPT (0.76) TSHRGOT1MAPTMEN1KMT2A
SCHEMBL23925499 0.91 MAPT (0.68) TSHRGOT1MAPTMEN1KMT2A
SCHEMBL23925504 0.90 GOT1 (0.78) TSHRGOT1MAPTMEN1KMT2A
SCHEMBL23925547 0.81 MAPT (0.78) GOT1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL625920 0.79 MTNR1A (0.76) TSHRSMN1; SMN2MTNR1AMTNR1BSNCA
SCHEMBL4510886 0.79 MTNR1A (1.00) TSHRMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9935006 0.79 SNCA (0.79) MAPTSNCA
SCHEMBL892461 0.78 MMP9 (0.79) TSHRSMN1; SMN2MTNR1AMTNR1BSNCA
SCHEMBL892597 0.78 MMP9 (0.79) TSHRSMN1; SMN2MTNR1AMTNR1BSNCA
SCHEMBL23925476 0.78 MAPT (0.76) GOT1MAPTMEN1KMT2ASMN1; SMN2

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 TSHR 4060/4885GOT1 871/4885MAPT 1718/4885

“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.