SCHEMBL31366513

SCHEMBL31366513

CCC(CC)[C@@H]1N=C(c2ccccc2)c2cc(Br)ccc2NC1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.71
▸ GABRA5 P31644 1/20 0.71
▸ GABRA3 P34903 1/20 0.71
▸ GABRA2 P47869 1/20 0.71
▸ GABRB2 P47870 1/20 0.71
▸ CHRM1 P11229 6/20 0.57
▸ CCKBR P32239 1/20 0.49
▸ MEN1 O00255 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ALB P02768 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ BACE1 P56817 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL25412359 1.00 GABRA1 (0.71) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL25412361 1.00 GABRA1 (0.71) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL25410941 0.90 GABRA1 (0.66) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL31366478 0.90 GABRA1 (0.66) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL25410947 0.90 GABRA1 (0.66) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL25410939 0.90 GABRA1 (0.66) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL25411165 0.87 CHRM1 (0.61) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL31366540 0.87 CHRM1 (0.61) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL25411158 0.87 CHRM1 (0.61) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL25411576 0.86 CHRM1 (0.57) GABRA1GABRA5GABRA3GABRA2GABRB2

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 GABRA1 2493/4885GABRA5 2307/4885GABRA3 2286/4885

“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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