SCHEMBL25408952

SCHEMBL25408952

CC[C@H](C)C1N=C(c2ccncc2)c2cc(Cl)ccc2N(CC(=O)O)C1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
CCKBR P32239 6/20 0.44
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.43
OPRK1 P41145 1/20 0.43
PDE3A Q14432 1/20 0.43
CYP1A2 P05177 1/20 0.42
HTR2B P41595 1/20 0.40
PDE4D Q08499 1/20 0.40
CHRM1 P11229 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 1/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
ROCK2 O75116 1/20 0.37

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
SCHEMBL25408950 1.00 HDAC3 (0.47) HDAC3HDAC1HDAC6CCKBRALOX15
SCHEMBL31366538 1.00 HDAC3 (0.47) HDAC3HDAC1HDAC6CCKBRALOX15
SCHEMBL25408947 1.00 HDAC3 (0.47) HDAC3HDAC1HDAC6CCKBRALOX15
SCHEMBL25409252 0.92 HDAC3 (0.54) HDAC3HDAC1HDAC6CCKBRALOX15
SCHEMBL31366582 0.92 HDAC3 (0.54) HDAC3HDAC1HDAC6CCKBRALOX15
SCHEMBL25409246 0.92 HDAC3 (0.54) HDAC3HDAC1HDAC6CCKBRALOX15
SCHEMBL25409243 0.92 HDAC3 (0.54) HDAC3HDAC1HDAC6CCKBRALOX15
SCHEMBL25411039 0.89 CCKBR (0.49) HDAC3HDAC1HDAC6CCKBRLMNA
SCHEMBL25411041 0.89 CCKBR (0.49) HDAC3HDAC1HDAC6CCKBRLMNA
SCHEMBL25411038 0.89 CCKBR (0.49) HDAC3HDAC1HDAC6CCKBRLMNA

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 HDAC3 1588/4885HDAC1 2365/4885HDAC6 1261/4885

“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.