SCHEMBL25407597

SCHEMBL25407597

O=C(O)CN1C(=O)C(C(F)(F)F)N=C(c2ccccc2)c2cc(Cl)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 7/20 0.54
OPRK1 P41145 2/20 0.52
LMNA P02545 1/20 0.52
PDE3A Q14432 1/20 0.52
NR1I2 O75469 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
OPRM1 P35372 1/20 0.51
CYP1A2 P05177 1/20 0.48
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
HTR2B P41595 1/20 0.47
PDE4D Q08499 1/20 0.47
KCNH2 Q12809 2/20 0.47
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 3/20 0.46
TP53 P04637 2/20 0.46
MCL1 Q07820 1/20 0.45
CCKAR P32238 2/20 0.44

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
SCHEMBL31366570 1.00 CCKBR (0.54) CCKBROPRK1LMNAPDE3ANR1I2
SCHEMBL25410938 0.92 OPRK1 (0.53) CCKBROPRK1LMNAPDE3ANR1I2
SCHEMBL31366507 0.92 OPRK1 (0.53) CCKBROPRK1LMNAPDE3ANR1I2
SCHEMBL31366502 0.90 CCKBR (0.56) CCKBROPRK1LMNAPDE3ANR1I2
SCHEMBL25411426 0.90 CCKBR (0.56) CCKBROPRK1LMNAPDE3ANR1I2
SCHEMBL25411419 0.90 CCKBR (0.56) CCKBROPRK1LMNAPDE3ANR1I2
SCHEMBL31366595 0.89 OPRK1 (0.53) CCKBROPRK1LMNAPDE3ANR1I2
SCHEMBL25409659 0.89 OPRK1 (0.53) CCKBROPRK1LMNAPDE3ANR1I2
SCHEMBL25409665 0.89 OPRK1 (0.53) CCKBROPRK1LMNAPDE3ANR1I2
SCHEMBL31629832 0.88 OPRK1 (0.48) CCKBROPRK1LMNAPDE3ANR1I2

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-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
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 CCKBR 3175/4885OPRK1 3835/4885LMNA 2728/4885

“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.