SCHEMBL23925693

SCHEMBL23925693

O=C(NCCc1c[nH]c2ccc(Br)cc12)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GOT1 P17174 5/20 0.64
MTNR1A P48039 1/20 0.60
MTNR1B P49286 1/20 0.60
MAPT P10636 6/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
POLB P06746 1/20 0.54
TP53 P04637 1/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TRPV1 Q8NER1 3/20 0.50
CDK2 P24941 1/20 0.48
SNCA P37840 1/20 0.48

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
SCHEMBL23925563 0.85 MTNR1A (0.63) MTNR1AMTNR1BMAPTSMN1; SMN2POLB
SCHEMBL23925489 0.78 GOT1 (0.62) GOT1MTNR1AMTNR1BMAPTSMN1; SMN2
SCHEMBL11080741 0.77 MTNR1A (0.78) GOT1MTNR1AMTNR1BMAPTSMN1; SMN2
SCHEMBL6919750 0.76 MTNR1A (1.00) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL4330537 0.75 MTNR1A (0.60) MTNR1AMTNR1BMAPTPOLBMEN1
SCHEMBL26088517 0.75 GOT1 (0.67) GOT1MAPTSMN1; SMN2POLBTP53
SCHEMBL26430695 0.74 MAPT (0.83) MTNR1AMTNR1BMAPTSMN1; SMN2POLB
SCHEMBL23925476 0.73 MAPT (0.76) GOT1MTNR1AMTNR1BMAPTSMN1; SMN2
SCHEMBL7318352 0.73 MTNR1A (0.70) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL5341652 0.72 MEN1 (0.73) MTNR1AMTNR1BMEN1KMT2ATRPV1

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 3 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
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.