SCHEMBL23925563

SCHEMBL23925563

O=C(NCCc1c[nH]c2ccc(Br)cc12)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.63
MTNR1B P49286 1/20 0.63
TRPV1 Q8NER1 7/20 0.62
SNCA P37840 6/20 0.60
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
POLB P06746 1/20 0.52
ALDH1A1 P00352 1/20 0.52
GLA P06280 1/20 0.52
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL4492489 0.85 TRPV1 (0.83) TRPV1KMT2AMEN1POLBLMNA
SCHEMBL23925693 0.85 GOT1 (0.64) MTNR1AMTNR1BTRPV1SNCAKMT2A
SCHEMBL5341652 0.83 MEN1 (0.73) MTNR1AMTNR1BTRPV1SNCAKMT2A
SCHEMBL4330537 0.81 MTNR1A (0.60) MTNR1AMTNR1BTRPV1SNCAKMT2A
SCHEMBL11080741 0.79 MTNR1A (0.78) MTNR1AMTNR1BKMT2AMEN1POLB
SCHEMBL6919750 0.78 MTNR1A (1.00) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL9935196 0.77 SNCA (0.85) TRPV1SNCAMAPT
SCHEMBL4327005 0.76 MTNR1A (0.65) MTNR1AMTNR1BTRPV1SNCAKMT2A
SCHEMBL4325288 0.75 MTNR1A (0.61) MTNR1AMTNR1BTRPV1SNCAKMT2A
SCHEMBL15313062 0.75 SNCA (1.00) SNCA

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 2 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 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 MTNR1A 1499/4885MTNR1B 1258/4885TRPV1 2668/4885

“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.