SCHEMBL23925476

SCHEMBL23925476

O=C(NCCc1c[nH]c2ccc(F)cc12)Nc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.76
SMN1; SMN2 Q16637 4/20 0.76
POLB P06746 1/20 0.76
MEN1 O00255 5/20 0.74
KMT2A Q03164 5/20 0.74
NOTUM Q6P988 2/20 0.67
MTNR1A P48039 1/20 0.67
MTNR1B P49286 1/20 0.67
TRPV1 Q8NER1 1/20 0.66
GOT1 P17174 5/20 0.61
SPR P35270 1/20 0.60
MPO P05164 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
SCHEMBL23925499 0.88 MAPT (0.68) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL26430630 0.86 MAPT (0.76) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL23925545 0.86 MAPT (0.76) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL734585 0.85 MEN1 (1.00) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL23925487 0.84 MAPT (0.79) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL23925614 0.84 MAPT (0.80) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL20242784 0.84 NOTUM (0.78) NOTUMMTNR1AMTNR1BTRPV1SPR
SCHEMBL23925547 0.84 MAPT (0.78) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL4852117 0.81 FAAH (0.74) NOTUMMTNR1AMTNR1BTRPV1SPR
SCHEMBL4512654 0.80 MTNR1A (1.00) MAPTMEN1KMT2ANOTUMMTNR1A

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 MAPT 1718/4885SMN1; SMN2 4580/4885POLB 498/4885

“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.