SCHEMBL23925488

SCHEMBL23925488

O=C(NCCc1c[nH]c2ccccc12)c1cc(Br)cc(Br)c1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.82
KMT2A Q03164 8/20 0.82
ALDH1A1 P00352 1/20 0.77
GLA P06280 1/20 0.77
NPC1 O15118 4/20 0.74
RAB9A P51151 4/20 0.74
CDK4 P11802 4/20 0.69
CCND1 P24385 4/20 0.69
SIRT1 Q96EB6 4/20 0.68
TRPV1 Q8NER1 1/20 0.65
POLB P06746 1/20 0.64
MMP9 P14780 1/20 0.63
AANAT Q16613 1/20 0.63

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
SCHEMBL13942340 0.89 MEN1 (0.81) MEN1KMT2AALDH1A1GLANPC1
SCHEMBL797879 0.86 MEN1 (0.76) MEN1KMT2AALDH1A1GLANPC1
SCHEMBL4331421 0.85 MEN1 (1.00) MEN1KMT2ANPC1RAB9ACDK4
SCHEMBL1518173 0.84 MEN1 (0.69) MEN1KMT2AALDH1A1GLANPC1
Cyanide SCHEMBL31484737 0.82 MEN1 (0.92) MEN1KMT2ANPC1RAB9ACDK4
SCHEMBL15047821 0.82 MEN1 (0.82) MEN1KMT2ANPC1RAB9ACDK4
SCHEMBL15145341 0.82 PTGS1 (0.76) MEN1KMT2AALDH1A1GLANPC1
SCHEMBL15145365 0.82 PTGS1 (0.79) MEN1KMT2AALDH1A1GLANPC1
SCHEMBL4492489 0.82 TRPV1 (0.83) MEN1KMT2ANPC1RAB9ACDK4
SCHEMBL7866515 0.81 MEN1 (0.73) MEN1KMT2ANPC1RAB9ACDK4

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 MEN1 2778/4885KMT2A 2581/4885ALDH1A1 4879/4885

“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.