SCHEMBL31366607

SCHEMBL31366607

CC[C@H](C)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2N(CC#N)C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
OPRK1 P41145 4/20 0.48
LMNA P02545 1/20 0.48
PDE3A Q14432 1/20 0.48
CHRM1 P11229 5/20 0.45
PDE4D Q08499 2/20 0.42
HTR2B P41595 1/20 0.42
TP53 P04637 2/20 0.41
NR1I2 O75469 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
OPRM1 P35372 1/20 0.41
CCKBR P32239 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
CACNA1F O60840 1/20 0.41
ALB P02768 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41

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
SCHEMBL25412548 1.00 HDAC3 (0.49) HDAC3HDAC1HDAC6OPRK1LMNA
SCHEMBL25412551 1.00 HDAC3 (0.49) HDAC3HDAC1HDAC6OPRK1LMNA
SCHEMBL25412545 1.00 HDAC3 (0.49) HDAC3HDAC1HDAC6OPRK1LMNA
SCHEMBL25408970 0.91 HDAC3 (0.52) HDAC3HDAC1HDAC6OPRK1LMNA
SCHEMBL31366547 0.91 HDAC3 (0.52) HDAC3HDAC1HDAC6OPRK1LMNA
SCHEMBL25408967 0.91 HDAC3 (0.52) HDAC3HDAC1HDAC6OPRK1LMNA
SCHEMBL25408963 0.91 HDAC3 (0.52) HDAC3HDAC1HDAC6OPRK1LMNA
SCHEMBL25411243 0.85 HDAC3 (0.54) HDAC3HDAC1HDAC6OPRK1LMNA
SCHEMBL25409246 0.85 HDAC3 (0.54) HDAC3HDAC1HDAC6OPRK1LMNA
SCHEMBL25411246 0.85 HDAC3 (0.54) HDAC3HDAC1HDAC6OPRK1LMNA

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
CN-119072467-A Novel diazapine compounds targeting yellow fever virus non-structural 4B (NS 4B) protein and methods of use thereof 巴鲁克斯布伦博格研究所 2024-12-03 CN 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.