SCHEMBL23925489

SCHEMBL23925489

CCCCc1ccc(NC(=O)NCCc2c[nH]c3ccc(Br)cc23)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GOT1 P17174 5/20 0.62
MTNR1A P48039 2/20 0.61
MTNR1B P49286 1/20 0.61
TRPV1 Q8NER1 3/20 0.61
MAPT P10636 5/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
POLB P06746 1/20 0.58
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.50

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
SCHEMBL23925693 0.78 GOT1 (0.64) GOT1MTNR1AMTNR1BTRPV1MAPT
SCHEMBL23925617 0.77 MAPT (0.87) GOT1MTNR1AMTNR1BMAPTSMN1; SMN2
SCHEMBL31543642 0.77 MTNR1A (0.67) MTNR1AMTNR1BTRPV1MAPTMEN1
SCHEMBL6611688 0.77 MTNR1A (0.66) MTNR1AMTNR1BTRPV1MEN1KMT2A
SCHEMBL6919750 0.77 MTNR1A (1.00) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL28116927 0.76 SLC6A4 (0.71) MTNR1AMTNR1B
SCHEMBL26086523 0.76 MEN1 (0.58) GOT1MTNR1AMAPTSMN1; SMN2MEN1
SCHEMBL11080741 0.75 MTNR1A (0.78) GOT1MTNR1AMTNR1BMAPTSMN1; SMN2
SCHEMBL23925504 0.75 GOT1 (0.78) GOT1MTNR1AMTNR1BMAPTSMN1; SMN2
SCHEMBL23925614 0.74 MAPT (0.80) GOT1MTNR1AMTNR1BTRPV1MAPT

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 871/4885MTNR1A 1499/4885MTNR1B 1258/4885

“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.