SCHEMBL25409838

SCHEMBL25409838

CCC(CC)C1N=C(c2ccccn2)c2cc(Br)ccc2NC1=O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 1/20 0.54
▸ GABRA1 P14867 3/20 0.51
▸ GABRA5 P31644 3/20 0.51
▸ GABRA3 P34903 3/20 0.51
▸ GABRA2 P47869 3/20 0.51
▸ GABRB2 P47870 3/20 0.51
▸ CHRM1 P11229 2/20 0.48
▸ MAPK1 P28482 1/20 0.41
▸ TP53 P04637 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ LMNA P02545 1/20 0.36

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
SCHEMBL31366629 1.00 ADRA1A (0.54) ADRA1AGABRA1GABRA5GABRA3GABRA2
SCHEMBL25409835 1.00 ADRA1A (0.54) ADRA1AGABRA1GABRA5GABRA3GABRA2
SCHEMBL21272249 0.88 CHRM1 (0.58) ADRA1AGABRA1GABRA5GABRA3GABRA2
SCHEMBL21272128 0.88 CHRM1 (0.58) ADRA1AGABRA1GABRA5GABRA3GABRA2
SCHEMBL31366513 0.85 GABRA1 (0.71) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL25412361 0.85 GABRA1 (0.71) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL25412359 0.85 GABRA1 (0.71) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL3142613 0.85 GABRA1 (0.70) ADRA1AGABRA1GABRA5GABRA3GABRA2
SCHEMBL7722823 0.85 GABRA1 (0.70) ADRA1AGABRA1GABRA5GABRA3GABRA2
SCHEMBL28926380 0.84 ADRA1A (0.53) ADRA1AGABRA1GABRA5GABRA3GABRA2

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-20250197360-A1 NOVEL DIAZEPINES THAT TARGET YELLOW FEVER VIRUS NON-STRUCTURAL 4B (NS4B) PROTEIN AND THEIR METHOD OF USE BARUCH S. BLUMBERG INSTITUTE 2025-06-19 — — US disclosed
WO-2023172726-A1 NOVEL DIAZEPINES THAT TARGET YELLOW FEVER VIRUS NON-STRUCTURAL 4B (NS4B) PROTEIN AND THEIR METHOD OF USE BARUCH S. BLUMBERG INSTITUTE (US) 2023-09-14 — — 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-20250197360-A1 NOVEL DIAZEPINES THAT TARGET YELLOW FEVER VIRUS NON-STRUCTURAL 4B (NS4B) PROTEIN AND THEIR METHOD OF USE CUL4B, BRD4, CUL4A ADRA1A 3323/4885GABRA1 2493/4885GABRA5 2307/4885

“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.

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